7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile

C16H8Cl2N2O — CID 118010177

IUPAC7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c[nH]c2cc(Cl)c(-c3ccc(Cl)cc3)cc2c1=O
InChIInChI=1S/C16H8Cl2N2O/c17-11-3-1-9(2-4-11)12-5-13-15(6-14(12)18)20-8-10(7-19)16(13)21/h1-6,8H,(H,20,21)
InChIKeyZKIGSUVCVGAIIC-UHFFFAOYSA-N
MW315.16 g/mol
LogP4.37
Rot. Bonds1

About 7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile

7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile (PubChem CID 118010177) has the molecular formula C16H8Cl2N2O and a molecular weight of 315.16 g/mol. Its IUPAC name is 7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile
PubChem CID118010177
Molecular FormulaC16H8Cl2N2O
Molecular Weight315.16 g/mol
Exact Mass314.00
IUPAC Name7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c[nH]c2cc(Cl)c(-c3ccc(Cl)cc3)cc2c1=O
InChIInChI=1S/C16H8Cl2N2O/c17-11-3-1-9(2-4-11)12-5-13-15(6-14(12)18)20-8-10(7-19)16(13)21/h1-6,8H,(H,20,21)
InChIKeyZKIGSUVCVGAIIC-UHFFFAOYSA-N
XLogP4.37
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile (CID 118010177) is 7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile is N#Cc1c[nH]c2cc(Cl)c(-c3ccc(Cl)cc3)cc2c1=O.
What is the InChIKey of 7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is ZKIGSUVCVGAIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2N2O/c17-11-3-1-9(2-4-11)12-5-13-15(6-14(12)18)20-8-10(7-19)16(13)21/h1-6,8H,(H,20,21).
What are the key properties of 7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile?
7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 315.16 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 118010177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).