3-[2-(3,5-dimethoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one

C24H20N2O4 — CID 172797169

IUPAC3-[2-(3,5-dimethoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
SMILESCOc1cc(CC(=O)c2cc3cccnc3n(-c3ccccc3)c2=O)cc(OC)c1
InChIInChI=1S/C24H20N2O4/c1-29-19-11-16(12-20(15-19)30-2)13-22(27)21-14-17-7-6-10-25-23(17)26(24(21)28)18-8-4-3-5-9-18/h3-12,14-15H,13H2,1-2H3
InChIKeyQJCIKEAMAYUJES-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.83
Rot. Bonds6

About 3-[2-(3,5-dimethoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one

3-[2-(3,5-dimethoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one (PubChem CID 172797169) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 3-[2-(3,5-dimethoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-[2-(3,5-dimethoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
PubChem CID172797169
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name3-[2-(3,5-dimethoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
SMILESCOc1cc(CC(=O)c2cc3cccnc3n(-c3ccccc3)c2=O)cc(OC)c1
InChIInChI=1S/C24H20N2O4/c1-29-19-11-16(12-20(15-19)30-2)13-22(27)21-14-17-7-6-10-25-23(17)26(24(21)28)18-8-4-3-5-9-18/h3-12,14-15H,13H2,1-2H3
InChIKeyQJCIKEAMAYUJES-UHFFFAOYSA-N
XLogP3.83
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
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
4-hydroxy-3-[2-(3-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
CID 54676176
3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one
CID 54676206
ethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate
CID 67010881
1-(4-methoxyphenyl)-3-(2-pyridin-2-ylprop-1-enyl)-1,8-naphthyridin-2-one
CID 57276559
4-hydroxy-N-(4-methoxyphenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54722023
1-[(2-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620982
N-[2-(3-methoxyphenyl)ethyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619614
1-benzyl-N-(4-ethoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620250
1-benzyl-N,N-diethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620018
N-(2,4-dimethoxyphenyl)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619927
1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620106

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one?
The IUPAC name of 3-[2-(3,5-dimethoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one (CID 172797169) is 3-[2-(3,5-dimethoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-[2-(3,5-dimethoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one?
The canonical SMILES for 3-[2-(3,5-dimethoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one is COc1cc(CC(=O)c2cc3cccnc3n(-c3ccccc3)c2=O)cc(OC)c1.
What is the InChIKey of 3-[2-(3,5-dimethoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one?
The InChIKey is QJCIKEAMAYUJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-29-19-11-16(12-20(15-19)30-2)13-22(27)21-14-17-7-6-10-25-23(17)26(24(21)28)18-8-4-3-5-9-18/h3-12,14-15H,13H2,1-2H3.
What are the key properties of 3-[2-(3,5-dimethoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one?
3-[2-(3,5-dimethoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one has a molecular weight of 400.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 172797169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).