4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile

C16H9ClFN3 — CID 43669106

IUPAC4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1Nc1cccc(Cl)c1F
InChIInChI=1S/C16H9ClFN3/c17-12-5-3-7-14(15(12)18)21-16-10(8-19)9-20-13-6-2-1-4-11(13)16/h1-7,9H,(H,20,21)
InChIKeyVHVIDKHWYFLASX-UHFFFAOYSA-N
MW297.72 g/mol
LogP4.64
Rot. Bonds2

About 4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile

4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile (PubChem CID 43669106) has the molecular formula C16H9ClFN3 and a molecular weight of 297.72 g/mol. Its IUPAC name is 4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile
PubChem CID43669106
Molecular FormulaC16H9ClFN3
Molecular Weight297.72 g/mol
Exact Mass297.05
IUPAC Name4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1Nc1cccc(Cl)c1F
InChIInChI=1S/C16H9ClFN3/c17-12-5-3-7-14(15(12)18)21-16-10(8-19)9-20-13-6-2-1-4-11(13)16/h1-7,9H,(H,20,21)
InChIKeyVHVIDKHWYFLASX-UHFFFAOYSA-N
XLogP4.64
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-difluoroanilino)quinoline-3-carbonitrile
CID 61077022
4-(5-chloro-2-fluoroanilino)quinoline-3-carbonitrile
CID 43669136
6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile
CID 170984882
4-(2-methylanilino)quinoline-3-carbonitrile
CID 10015424
4-(2-chloro-5-methylanilino)quinoline-3-carbonitrile
CID 107635172
4-(4-chloro-2-methylanilino)quinoline-3-carbonitrile
CID 43669095
4-(2-bromo-5-fluoroanilino)quinoline-3-carbonitrile
CID 107635350
4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
CID 43668942
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-(4-methylsulfanylanilino)quinoline-3-carbonitrile
CID 43668938
4-(2-bromo-4-methylanilino)quinoline-3-carbonitrile
CID 43668917
4-(3-fluoro-4-methylanilino)quinoline-3-carbonitrile
CID 43669035

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile?
The IUPAC name of 4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile (CID 43669106) is 4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile?
The canonical SMILES for 4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1Nc1cccc(Cl)c1F.
What is the InChIKey of 4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile?
The InChIKey is VHVIDKHWYFLASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN3/c17-12-5-3-7-14(15(12)18)21-16-10(8-19)9-20-13-6-2-1-4-11(13)16/h1-7,9H,(H,20,21).
What are the key properties of 4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile?
4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile has a molecular weight of 297.72 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 43669106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).