(4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl)(tetrahydrofuran-2-yl)methanone hydrochlorid

Introduction

CAS No. :	63074-08-8	MDL No. :	MFCD00467965
Formula :	C19H26ClN5O4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IWSWDOUXSCRCKW-UHFFFAOYSA-N
M.W :	423.89	Pubchem ID :	44383
Synonyms :	Terazosin (hydrochloride);Hytrin;A-45975;Hyprin;Vasocard;Terazocin HCl;Blavin;Fosfomic;Flumarc;Terazosine;Zayasel;Terazosin hydrochloride	Chemical Name :	(4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl)(tetrahydrofuran-2-yl)methanone hydrochloride

Physicochemical Properties

Num. heavy atoms :	29
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.53
Num. rotatable bonds :	5
Num. H-bond acceptors :	6.0
Num. H-bond donors :	1.0
Molar Refractivity :	118.55
TPSA :	103.04 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.42 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	2.06
Log Po/w (WLOGP) :	1.11
Log Po/w (MLOGP) :	0.51
Log Po/w (SILICOS-IT) :	0.94
Consensus Log Po/w :	0.92

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.69
Solubility :	0.0863 mg/ml ; 0.000204 mol/l
Class :	Soluble
Log S (Ali) :	-3.85
Solubility :	0.0595 mg/ml ; 0.00014 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.51
Solubility :	0.132 mg/ml ; 0.000311 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.6

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

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