4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile

C16H9ClN2O2 — CID 11369958

IUPAC4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)c2ccc(O)cc2[nH]c1=O
InChIInChI=1S/C16H9ClN2O2/c17-10-3-1-9(2-4-10)15-12-6-5-11(20)7-14(12)19-16(21)13(15)8-18/h1-7,20H,(H,19,21)
InChIKeyBPXFFNQJRIIKML-UHFFFAOYSA-N
MW296.71 g/mol
LogP3.43
Rot. Bonds1

About 4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile

4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 11369958) has the molecular formula C16H9ClN2O2 and a molecular weight of 296.71 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID11369958
Molecular FormulaC16H9ClN2O2
Molecular Weight296.71 g/mol
Exact Mass296.04
IUPAC Name4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)c2ccc(O)cc2[nH]c1=O
InChIInChI=1S/C16H9ClN2O2/c17-10-3-1-9(2-4-10)15-12-6-5-11(20)7-14(12)19-16(21)13(15)8-18/h1-7,20H,(H,19,21)
InChIKeyBPXFFNQJRIIKML-UHFFFAOYSA-N
XLogP3.43
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
CID 54699044
7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile
CID 86683080
4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 13403846
2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
CID 15010180
4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile
CID 126544781
2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393277
7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one
CID 54689450
3,9-dichloro-6,12-bis(4-chlorophenyl)tetracene-5,11-dicarbonitrile
CID 134950266
2-amino-4-[2-(4-hydroxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393911
2-amino-4-(3,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394089
2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 71574198
4-(4-chlorophenyl)-2-oxo-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile;4-methylmorpholine
CID 57149795

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile (CID 11369958) is 4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile is N#Cc1c(-c2ccc(Cl)cc2)c2ccc(O)cc2[nH]c1=O.
What is the InChIKey of 4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is BPXFFNQJRIIKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2O2/c17-10-3-1-9(2-4-10)15-12-6-5-11(20)7-14(12)19-16(21)13(15)8-18/h1-7,20H,(H,19,21).
What are the key properties of 4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile?
4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 296.71 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 11369958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).