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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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).