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

C23H18N2O4 — CID 54676176

IUPAC4-hydroxy-3-[2-(3-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
SMILESCOc1cccc(CC(=O)c2c(O)c3cccnc3n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C23H18N2O4/c1-29-17-10-5-7-15(13-17)14-19(26)20-21(27)18-11-6-12-24-22(18)25(23(20)28)16-8-3-2-4-9-16/h2-13,27H,14H2,1H3
InChIKeyZTAGEEWZFYYEOU-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.53
Rot. Bonds5

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

4-hydroxy-3-[2-(3-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one (PubChem CID 54676176) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 4-hydroxy-3-[2-(3-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[2-(3-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
PubChem CID54676176
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name4-hydroxy-3-[2-(3-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
SMILESCOc1cccc(CC(=O)c2c(O)c3cccnc3n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C23H18N2O4/c1-29-17-10-5-7-15(13-17)14-19(26)20-21(27)18-11-6-12-24-22(18)25(23(20)28)16-8-3-2-4-9-16/h2-13,27H,14H2,1H3
InChIKeyZTAGEEWZFYYEOU-UHFFFAOYSA-N
XLogP3.53
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-3-[2-(4-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
CID 54676192
3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one
CID 54676206
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727072
4-hydroxy-N-(4-methoxyphenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54722023
4-hydroxy-1-phenyl-3-(7-phenylheptanoyl)-1,8-naphthyridin-2-one
CID 68947735
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
4-hydroxy-1-(3-methoxyphenyl)-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727123
N-(3-chlorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727140
3-[2-(3,5-dimethoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
CID 172797169
4-hydroxy-N-methyl-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54722014
4-[3-(4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridin-3-yl)-3-oxopropyl]benzonitrile
CID 54676189

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[2-(3-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one?
The IUPAC name of 4-hydroxy-3-[2-(3-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one (CID 54676176) is 4-hydroxy-3-[2-(3-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[2-(3-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[2-(3-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one is COc1cccc(CC(=O)c2c(O)c3cccnc3n(-c3ccccc3)c2=O)c1.
What is the InChIKey of 4-hydroxy-3-[2-(3-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one?
The InChIKey is ZTAGEEWZFYYEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-29-17-10-5-7-15(13-17)14-19(26)20-21(27)18-11-6-12-24-22(18)25(23(20)28)16-8-3-2-4-9-16/h2-13,27H,14H2,1H3.
What are the key properties of 4-hydroxy-3-[2-(3-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one?
4-hydroxy-3-[2-(3-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one has a molecular weight of 386.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-(3-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 54676176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).