6,7-Dimethoxy-2-methylquinazolin-4-ol

Introduction

CAS No. :	35241-23-7	MDL No. :	MFCD11110218
Formula :	C11H12N2O3	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	WMDKXNXSIGTHGJ-UHFFFAOYSA-N
M.W :	220.22	Pubchem ID :	135427503
Synonyms :

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.27
Num. rotatable bonds :	2
Num. H-bond acceptors :	5.0
Num. H-bond donors :	1.0
Molar Refractivity :	59.51
TPSA :	64.47 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.32 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.32
Log Po/w (XLOGP3) :	1.86
Log Po/w (WLOGP) :	1.66
Log Po/w (MLOGP) :	0.84
Log Po/w (SILICOS-IT) :	1.88
Consensus Log Po/w :	1.71

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.71
Solubility :	0.432 mg/ml ; 0.00196 mol/l
Class :	Soluble
Log S (Ali) :	-2.84
Solubility :	0.322 mg/ml ; 0.00146 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.4
Solubility :	0.0869 mg/ml ; 0.000394 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.96

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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