4-(2-chlorophenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile

C20H13ClN2O — CID 2816520

IUPAC4-(2-chlorophenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)c2c([nH]c1=O)-c1ccccc1CC2
InChIInChI=1S/C20H13ClN2O/c21-17-8-4-3-7-14(17)18-15-10-9-12-5-1-2-6-13(12)19(15)23-20(24)16(18)11-22/h1-8H,9-10H2,(H,23,24)
InChIKeyQNPJWVVGNDUOGF-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.33
Rot. Bonds1

About 4-(2-chlorophenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile

4-(2-chlorophenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile (PubChem CID 2816520) has the molecular formula C20H13ClN2O and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile
PubChem CID2816520
Molecular FormulaC20H13ClN2O
Molecular Weight332.79 g/mol
Exact Mass332.07
IUPAC Name4-(2-chlorophenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)c2c([nH]c1=O)-c1ccccc1CC2
InChIInChI=1S/C20H13ClN2O/c21-17-8-4-3-7-14(17)18-15-10-9-12-5-1-2-6-13(12)19(15)23-20(24)16(18)11-22/h1-8H,9-10H2,(H,23,24)
InChIKeyQNPJWVVGNDUOGF-UHFFFAOYSA-N
XLogP4.33
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile?
The IUPAC name of 4-(2-chlorophenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile (CID 2816520) is 4-(2-chlorophenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile.
What is the SMILES notation for 4-(2-chlorophenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile?
The canonical SMILES for 4-(2-chlorophenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile is N#Cc1c(-c2ccccc2Cl)c2c([nH]c1=O)-c1ccccc1CC2.
What is the InChIKey of 4-(2-chlorophenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile?
The InChIKey is QNPJWVVGNDUOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O/c21-17-8-4-3-7-14(17)18-15-10-9-12-5-1-2-6-13(12)19(15)23-20(24)16(18)11-22/h1-8H,9-10H2,(H,23,24).
What are the key properties of 4-(2-chlorophenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile?
4-(2-chlorophenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile has a molecular weight of 332.79 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile is sourced from PubChem (CID 2816520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).