7-(3-Chloropropoxy)-4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxyquinoline-3-carbonitrile

Name: 7-(3-Chloropropoxy)-4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxyquinoline-3-carbonitrile
SKU: PI380844495
Rating: 5 (1 reviews)

Cat. No.: PI380844495

Product Details Other Identifiers Computed Properties

CAS	380844-49-5
Purity	97%
Molecular Formula	C21H18Cl3N3O3
Molecular Weight	466.75
Molar Refractivity	119.91

Pubchem ID	11048920
InChI Key	GASHKCRNJZBFBE-UHFFFAOYSA-N
MDL Number	MFCD09833975

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	8
Topological Polar Surface Area	76.4 Å²
Heavy Atom Count	30
Aromatic Heavy Atoms Number	16
Fraction Csp3	0.24
Log Po/w (iLOGP)	3.51
Log Po/w (XLOGP3)	6.12
Log Po/w (WLOGP)	6.18
Log Po/w (MLOGP)	2.84
Log Po/w (SILICOS-IT)	5.93
Consensus Log Po/w	4.91
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-4.8 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	1.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	3.0
Synthetic Accessibility	3.15

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