N-(3-((4-Amino-6,7-dimethoxyquinazolin-2-yl)(methyl)amino)propyl)tetrahydrofuran-2-carboxamide hydro

Introduction

CAS No. :	81403-68-1	MDL No. :	MFCD00879135
Formula :	C19H28ClN5O4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YTNKWDJILNVLGX-UHFFFAOYSA-N
M.W :	425.91	Pubchem ID :	71764
Synonyms :	SL 77499-10;Alfuzosin (hydrochloride);Uroxatral;SL 77499 HCl;Alfuzosin HCl	Chemical Name :	N-(3-((4-Amino-6,7-dimethoxyquinazolin-2-yl)(methyl)amino)propyl)tetrahydrofuran-2-carboxamide hydrochloride

Physicochemical Properties

Num. heavy atoms :	29
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.53
Num. rotatable bonds :	9
Num. H-bond acceptors :	6.0
Num. H-bond donors :	2.0
Molar Refractivity :	113.72
TPSA :	111.83 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.14 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	2.47
Log Po/w (WLOGP) :	2.16
Log Po/w (MLOGP) :	0.51
Log Po/w (SILICOS-IT) :	1.46
Consensus Log Po/w :	1.32

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.7
Solubility :	0.0854 mg/ml ; 0.0002 mol/l
Class :	Soluble
Log S (Ali) :	-4.46
Solubility :	0.0147 mg/ml ; 0.0000345 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-4.71
Solubility :	0.00825 mg/ml ; 0.0000194 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.67

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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