1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one

C24H19FN2O3 — CID 50759408

IUPAC1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one
SMILESCOc1ccccc1C(=O)c1cn(Cc2cccc(F)c2)c2nc(C)ccc2c1=O
InChIInChI=1S/C24H19FN2O3/c1-15-10-11-19-23(29)20(22(28)18-8-3-4-9-21(18)30-2)14-27(24(19)26-15)13-16-6-5-7-17(25)12-16/h3-12,14H,13H2,1-2H3
InChIKeyDADRXRWNPJSBJB-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.13
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one

1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one (PubChem CID 50759408) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one
PubChem CID50759408
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one
SMILESCOc1ccccc1C(=O)c1cn(Cc2cccc(F)c2)c2nc(C)ccc2c1=O
InChIInChI=1S/C24H19FN2O3/c1-15-10-11-19-23(29)20(22(28)18-8-3-4-9-21(18)30-2)14-27(24(19)26-15)13-16-6-5-7-17(25)12-16/h3-12,14H,13H2,1-2H3
InChIKeyDADRXRWNPJSBJB-UHFFFAOYSA-N
XLogP4.13
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50759428
3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50759361
N-(2-chlorophenyl)-2-[3-(2-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929862
N-(2-chloro-4-methylphenyl)-2-[3-(2-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929871
3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one
CID 50759395
3-benzoyl-1-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50759387
2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 20929743
1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one
CID 50759461
N-(2,4-difluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929759
ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 53418933
2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929843
1-[(2,5-dimethylphenyl)methyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one
CID 50759431

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one (CID 50759408) is 1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one is COc1ccccc1C(=O)c1cn(Cc2cccc(F)c2)c2nc(C)ccc2c1=O.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is DADRXRWNPJSBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-15-10-11-19-23(29)20(22(28)18-8-3-4-9-21(18)30-2)14-27(24(19)26-15)13-16-6-5-7-17(25)12-16/h3-12,14H,13H2,1-2H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one?
1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 402.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 50759408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).