7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile

C17H12N2O2 — CID 86683080

IUPAC7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile
SMILESCOc1ccc2c(-c3ccccc3)c(C#N)c(=O)[nH]c2c1
InChIInChI=1S/C17H12N2O2/c1-21-12-7-8-13-15(9-12)19-17(20)14(10-18)16(13)11-5-3-2-4-6-11/h2-9H,1H3,(H,19,20)
InChIKeyQDNYRIZKQLMICT-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.08
Rot. Bonds2

About 7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile

7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile (PubChem CID 86683080) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile
PubChem CID86683080
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile
SMILESCOc1ccc2c(-c3ccccc3)c(C#N)c(=O)[nH]c2c1
InChIInChI=1S/C17H12N2O2/c1-21-12-7-8-13-15(9-12)19-17(20)14(10-18)16(13)11-5-3-2-4-6-11/h2-9H,1H3,(H,19,20)
InChIKeyQDNYRIZKQLMICT-UHFFFAOYSA-N
XLogP3.08
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) hydrogen carbonate
CID 134816586
3-methoxy-5H-phenanthridin-6-one
CID 12706603
(7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) N,N-dimethylcarbamate
CID 2785009
2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 14269650
4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile
CID 126544781
2-amino-4-[2-(3-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393888
4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
CID 11369958
2-amino-4-[3-(4-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393882
7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one
CID 22333215
7-methoxy-9H-carbazole-2-carbonitrile
CID 10775390
4-[2-(3-methoxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584675
methyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate
CID 15149452

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile?
The IUPAC name of 7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile (CID 86683080) is 7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile?
The canonical SMILES for 7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile is COc1ccc2c(-c3ccccc3)c(C#N)c(=O)[nH]c2c1.
What is the InChIKey of 7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile?
The InChIKey is QDNYRIZKQLMICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-21-12-7-8-13-15(9-12)19-17(20)14(10-18)16(13)11-5-3-2-4-6-11/h2-9H,1H3,(H,19,20).
What are the key properties of 7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile?
7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 86683080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).