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

C16H9ClFN3 — CID 50768733

IUPAC6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)cc2c1Nc1ccc(F)cc1
InChIInChI=1S/C16H9ClFN3/c17-11-1-6-15-14(7-11)16(10(8-19)9-20-15)21-13-4-2-12(18)3-5-13/h1-7,9H,(H,20,21)
InChIKeyKHJUHDXXNYTWNO-UHFFFAOYSA-N
MW297.72 g/mol
LogP4.64
Rot. Bonds2

About 6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile

6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile (PubChem CID 50768733) has the molecular formula C16H9ClFN3 and a molecular weight of 297.72 g/mol. Its IUPAC name is 6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile
PubChem CID50768733
Molecular FormulaC16H9ClFN3
Molecular Weight297.72 g/mol
Exact Mass297.05
IUPAC Name6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)cc2c1Nc1ccc(F)cc1
InChIInChI=1S/C16H9ClFN3/c17-11-1-6-15-14(7-11)16(10(8-19)9-20-15)21-13-4-2-12(18)3-5-13/h1-7,9H,(H,20,21)
InChIKeyKHJUHDXXNYTWNO-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile (CID 50768733) is 6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile is N#Cc1cnc2ccc(Cl)cc2c1Nc1ccc(F)cc1.
What is the InChIKey of 6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile?
The InChIKey is KHJUHDXXNYTWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN3/c17-11-1-6-15-14(7-11)16(10(8-19)9-20-15)21-13-4-2-12(18)3-5-13/h1-7,9H,(H,20,21).
What are the key properties of 6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile?
6-chloro-4-(4-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 6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 50768733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).