6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile

C16H9Cl2FN4 — CID 170984882

IUPAC6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2c(Cl)cc(N)cc2c1Nc1cccc(Cl)c1F
InChIInChI=1S/C16H9Cl2FN4/c17-11-2-1-3-13(14(11)19)23-15-8(6-20)7-22-16-10(15)4-9(21)5-12(16)18/h1-5,7H,21H2,(H,22,23)
InChIKeyGFXPUVRYWCQUHE-UHFFFAOYSA-N
MW347.18 g/mol
LogP4.88
Rot. Bonds2

About 6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile

6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile (PubChem CID 170984882) has the molecular formula C16H9Cl2FN4 and a molecular weight of 347.18 g/mol. Its IUPAC name is 6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile
PubChem CID170984882
Molecular FormulaC16H9Cl2FN4
Molecular Weight347.18 g/mol
Exact Mass346.02
IUPAC Name6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2c(Cl)cc(N)cc2c1Nc1cccc(Cl)c1F
InChIInChI=1S/C16H9Cl2FN4/c17-11-2-1-3-13(14(11)19)23-15-8(6-20)7-22-16-10(15)4-9(21)5-12(16)18/h1-5,7H,21H2,(H,22,23)
InChIKeyGFXPUVRYWCQUHE-UHFFFAOYSA-N
XLogP4.88
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile
CID 43669106
6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile
CID 145229955
6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile
CID 141161285
7-chloro-8-fluoro-4-hydrazinylquinoline-3-carbonitrile
CID 62251972
4-(2,3-difluoroanilino)quinoline-3-carbonitrile
CID 61077022
5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile
CID 65469093
8-chloro-6-[[(R)-deuterio-(2,3-dihydro-1H-triazol-4-yl)-phenylmethyl]amino]-4-(3,4-dichloro-2-fluoroanilino)quinoline-3-carbonitrile
CID 158748476
8-chloro-6-[[deuterio-(2,3-dihydro-1H-triazol-4-yl)-phenylmethyl]amino]-4-(3,4-dichloro-2-fluoroanilino)quinoline-3-carbonitrile
CID 140819636
4-bromo-2-(3-chloro-2-fluoroanilino)benzonitrile
CID 114901396
8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile
CID 107607945
2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile
CID 63510091
4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328902

Frequently Asked Questions

What is the IUPAC name of 6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile?
The IUPAC name of 6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile (CID 170984882) is 6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile?
The canonical SMILES for 6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile is N#Cc1cnc2c(Cl)cc(N)cc2c1Nc1cccc(Cl)c1F.
What is the InChIKey of 6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile?
The InChIKey is GFXPUVRYWCQUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2FN4/c17-11-2-1-3-13(14(11)19)23-15-8(6-20)7-22-16-10(15)4-9(21)5-12(16)18/h1-5,7H,21H2,(H,22,23).
What are the key properties of 6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile?
6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile has a molecular weight of 347.18 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 170984882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).