3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one

C24H20N2O5 — CID 54676206

IUPAC3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one
SMILESCOc1ccc(CC(=O)c2c(O)c3cccnc3n(-c3ccccc3)c2=O)c(OC)c1
InChIInChI=1S/C24H20N2O5/c1-30-17-11-10-15(20(14-17)31-2)13-19(27)21-22(28)18-9-6-12-25-23(18)26(24(21)29)16-7-4-3-5-8-16/h3-12,14,28H,13H2,1-2H3
InChIKeyGSKPHBWXFQCZMW-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.53
Rot. Bonds6

About 3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one

3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one (PubChem CID 54676206) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is 3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one
PubChem CID54676206
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one
SMILESCOc1ccc(CC(=O)c2c(O)c3cccnc3n(-c3ccccc3)c2=O)c(OC)c1
InChIInChI=1S/C24H20N2O5/c1-30-17-11-10-15(20(14-17)31-2)13-19(27)21-22(28)18-9-6-12-25-23(18)26(24(21)29)16-7-4-3-5-8-16/h3-12,14,28H,13H2,1-2H3
InChIKeyGSKPHBWXFQCZMW-UHFFFAOYSA-N
XLogP3.53
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-3-[2-(4-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
CID 54676192
4-hydroxy-3-[2-(3-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
CID 54676176
4-hydroxy-N-(4-methoxyphenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54722023
4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54726882
4-hydroxy-N-methyl-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54722014
1-(4-fluorophenyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726984
N-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726905
4-hydroxy-1-phenyl-3-(7-phenylheptanoyl)-1,8-naphthyridin-2-one
CID 68947735
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727072
4-[3-(4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridin-3-yl)-3-oxopropyl]benzonitrile
CID 54676189
N-(4-chlorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727141
N-(2,3-dimethylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727129

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one?
The IUPAC name of 3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one (CID 54676206) is 3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one?
The canonical SMILES for 3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one is COc1ccc(CC(=O)c2c(O)c3cccnc3n(-c3ccccc3)c2=O)c(OC)c1.
What is the InChIKey of 3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one?
The InChIKey is GSKPHBWXFQCZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-30-17-11-10-15(20(14-17)31-2)13-19(27)21-22(28)18-9-6-12-25-23(18)26(24(21)29)16-7-4-3-5-8-16/h3-12,14,28H,13H2,1-2H3.
What are the key properties of 3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one?
3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one has a molecular weight of 416.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 54676206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).