4-((6,7-Dimethoxyquinolin-4-yl)oxy)aniline

Cat. No.: PI190728257

Product Details Other Identifiers Computed Properties

CAS	190728-25-7
Purity	97%
Molecular Formula	C17H16N2O3
Molecular Weight	296.32
Molar Refractivity	85.65

Pubchem ID	11594543
InChI Key	VXEQRXJATQUJSN-UHFFFAOYSA-N
MDL Number	MFCD19685633

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	4
Topological Polar Surface Area	66.6 Å²
Heavy Atom Count	22
Aromatic Heavy Atoms Number	16
Fraction Csp3	0.12
Log Po/w (iLOGP)	2.71
Log Po/w (XLOGP3)	2.98
Log Po/w (WLOGP)	3.63
Log Po/w (MLOGP)	1.62
Log Po/w (SILICOS-IT)	2.84
Consensus Log Po/w	2.76
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-5.99 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	1.0 alert
Brenk	1.0 alert
Leadlikeness	0.0
Synthetic Accessibility	2.33

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