1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile

C19H16N2O2 — CID 166437920

IUPAC1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile
SMILESCOc1ccc(Cn2c(=O)c(C#N)c(C)c3ccccc32)cc1
InChIInChI=1S/C19H16N2O2/c1-13-16-5-3-4-6-18(16)21(19(22)17(13)11-20)12-14-7-9-15(23-2)10-8-14/h3-10H,12H2,1-2H3
InChIKeyZNNNJMGNGFXBCC-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.24
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile

1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile (PubChem CID 166437920) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile
PubChem CID166437920
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile
SMILESCOc1ccc(Cn2c(=O)c(C#N)c(C)c3ccccc32)cc1
InChIInChI=1S/C19H16N2O2/c1-13-16-5-3-4-6-18(16)21(19(22)17(13)11-20)12-14-7-9-15(23-2)10-8-14/h3-10H,12H2,1-2H3
InChIKeyZNNNJMGNGFXBCC-UHFFFAOYSA-N
XLogP3.24
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-oxo-4-[(2S)-2-(4-propan-2-ylphenyl)but-3-enyl]quinoline-3-carbonitrile
CID 166439006
1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116765
4-[(2S)-2-(4-bromophenyl)but-3-enyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 166442551
1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 70482189
4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 21081957
4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 23153965
1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carbonitrile
CID 58799228
6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile
CID 19118617
1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile
CID 58852253
3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
CID 12751575
1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile
CID 22689252
3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 101462188

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile (CID 166437920) is 1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile is COc1ccc(Cn2c(=O)c(C#N)c(C)c3ccccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile?
The InChIKey is ZNNNJMGNGFXBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-13-16-5-3-4-6-18(16)21(19(22)17(13)11-20)12-14-7-9-15(23-2)10-8-14/h3-10H,12H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile?
1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile has a molecular weight of 304.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile is sourced from PubChem (CID 166437920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).