4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile

C18H14N2O — CID 126544781

IUPAC4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile
SMILESCCc1ccc(-c2c(C#N)c(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C18H14N2O/c1-2-12-7-9-13(10-8-12)17-14-5-3-4-6-16(14)20-18(21)15(17)11-19/h3-10H,2H2,1H3,(H,20,21)
InChIKeyBGQIAYVCGBRVBK-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.63
Rot. Bonds2

About 4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile

4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 126544781) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID126544781
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile
SMILESCCc1ccc(-c2c(C#N)c(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C18H14N2O/c1-2-12-7-9-13(10-8-12)17-14-5-3-4-6-16(14)20-18(21)15(17)11-19/h3-10H,2H2,1H3,(H,20,21)
InChIKeyBGQIAYVCGBRVBK-UHFFFAOYSA-N
XLogP3.63
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile
CID 86683080
2-amino-4-[4-(diethylaminomethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393697
3-ethyl-1H-indole-2-carbonitrile
CID 89048363
2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 14269650
4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
CID 11369958
2-[4-(2-methylpropyl)phenyl]-1H-indole-3-carbonitrile
CID 93189767
ethyl 5-cyano-4-(4-nitrophenyl)-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
CID 12550723
2-[4-(diethylamino)phenyl]-4-oxo-1H-quinoline-3-carbonitrile
CID 91741694
4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 126507552
4-(2-methyl-1H-indol-3-yl)benzonitrile
CID 39231480
2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 12550717
4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 3629581

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile (CID 126544781) is 4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile is CCc1ccc(-c2c(C#N)c(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is BGQIAYVCGBRVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-2-12-7-9-13(10-8-12)17-14-5-3-4-6-16(14)20-18(21)15(17)11-19/h3-10H,2H2,1H3,(H,20,21).
What are the key properties of 4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile?
4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 274.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 126544781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).