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

C20H14N2O — CID 2816526

IUPAC2-oxo-4-phenyl-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c2c([nH]c1=O)-c1ccccc1CC2
InChIInChI=1S/C20H14N2O/c21-12-17-18(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)19(16)22-20(17)23/h1-9H,10-11H2,(H,22,23)
InChIKeyPVQDXCMMWZBOBY-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.68
Rot. Bonds1

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

2-oxo-4-phenyl-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile (PubChem CID 2816526) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-oxo-4-phenyl-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-phenyl-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile
PubChem CID2816526
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name2-oxo-4-phenyl-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c2c([nH]c1=O)-c1ccccc1CC2
InChIInChI=1S/C20H14N2O/c21-12-17-18(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)19(16)22-20(17)23/h1-9H,10-11H2,(H,22,23)
InChIKeyPVQDXCMMWZBOBY-UHFFFAOYSA-N
XLogP3.68
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-phenyl-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile?
The IUPAC name of 2-oxo-4-phenyl-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile (CID 2816526) is 2-oxo-4-phenyl-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-phenyl-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile?
The canonical SMILES for 2-oxo-4-phenyl-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile is N#Cc1c(-c2ccccc2)c2c([nH]c1=O)-c1ccccc1CC2.
What is the InChIKey of 2-oxo-4-phenyl-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile?
The InChIKey is PVQDXCMMWZBOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c21-12-17-18(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)19(16)22-20(17)23/h1-9H,10-11H2,(H,22,23).
What are the key properties of 2-oxo-4-phenyl-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile?
2-oxo-4-phenyl-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile has a molecular weight of 298.35 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-phenyl-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile is sourced from PubChem (CID 2816526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).