1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile

C25H20N2O3 — CID 58852253

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile
SMILESCOc1ccc(Cn2c(=O)c(C#N)c(-c3ccccc3)c3ccccc32)c(OC)c1
InChIInChI=1S/C25H20N2O3/c1-29-19-13-12-18(23(14-19)30-2)16-27-22-11-7-6-10-20(22)24(21(15-26)25(27)28)17-8-4-3-5-9-17/h3-14H,16H2,1-2H3
InChIKeyAORFHWXSWOPBQU-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.61
Rot. Bonds5

About 1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile

1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile (PubChem CID 58852253) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile
PubChem CID58852253
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile
SMILESCOc1ccc(Cn2c(=O)c(C#N)c(-c3ccccc3)c3ccccc32)c(OC)c1
InChIInChI=1S/C25H20N2O3/c1-29-19-13-12-18(23(14-19)30-2)16-27-22-11-7-6-10-20(22)24(21(15-26)25(27)28)17-8-4-3-5-9-17/h3-14H,16H2,1-2H3
InChIKeyAORFHWXSWOPBQU-UHFFFAOYSA-N
XLogP4.61
TPSA64.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile
CID 166437920
1-(3-chloropropyl)-2-oxo-4-phenylquinoline-3-carbonitrile
CID 71568685
3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 56771696
2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one
CID 166635160
1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438185
4-[(2,4-dimethoxyphenyl)methyl]-7-(3-fluoropropyl)pyrido[2,3-c]carbazol-3-one
CID 90459585
5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one
CID 86686362
7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile
CID 86683080
3-[(2,4-dimethoxyphenyl)methyl]-2-(4-methoxy-2,5-dimethylphenyl)quinazolin-4-one
CID 46084209
4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 23153965
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175
N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865399

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile (CID 58852253) is 1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile is COc1ccc(Cn2c(=O)c(C#N)c(-c3ccccc3)c3ccccc32)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile?
The InChIKey is AORFHWXSWOPBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-29-19-13-12-18(23(14-19)30-2)16-27-22-11-7-6-10-20(22)24(21(15-26)25(27)28)17-8-4-3-5-9-17/h3-14H,16H2,1-2H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile?
1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile has a molecular weight of 396.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile is sourced from PubChem (CID 58852253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).