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

C23H16ClFN2O2 — CID 50759387

IUPAC3-benzoyl-1-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)c(C(=O)c3ccccc3)cn(Cc3ccc(F)cc3Cl)c2n1
InChIInChI=1S/C23H16ClFN2O2/c1-14-7-10-18-22(29)19(21(28)15-5-3-2-4-6-15)13-27(23(18)26-14)12-16-8-9-17(25)11-20(16)24/h2-11,13H,12H2,1H3
InChIKeyAXIJHTPOOHPGLH-UHFFFAOYSA-N
MW406.84 g/mol
LogP4.78
Rot. Bonds4

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

3-benzoyl-1-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one (PubChem CID 50759387) has the molecular formula C23H16ClFN2O2 and a molecular weight of 406.84 g/mol. Its IUPAC name is 3-benzoyl-1-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-benzoyl-1-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
PubChem CID50759387
Molecular FormulaC23H16ClFN2O2
Molecular Weight406.84 g/mol
Exact Mass406.09
IUPAC Name3-benzoyl-1-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)c(C(=O)c3ccccc3)cn(Cc3ccc(F)cc3Cl)c2n1
InChIInChI=1S/C23H16ClFN2O2/c1-14-7-10-18-22(29)19(21(28)15-5-3-2-4-6-15)13-27(23(18)26-14)12-16-8-9-17(25)11-20(16)24/h2-11,13H,12H2,1H3
InChIKeyAXIJHTPOOHPGLH-UHFFFAOYSA-N
XLogP4.78
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.84
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one
CID 50759461
3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one
CID 50759395
3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50759361
3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50759428
1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one
CID 50759408
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 20929630
ethyl 1-[(2-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940937
6-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one
CID 52998469
2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 22424622
1-[(2,5-dimethylphenyl)methyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one
CID 50759431
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide
CID 20929612
2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide
CID 20929649

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 3-benzoyl-1-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one (CID 50759387) is 3-benzoyl-1-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-benzoyl-1-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 3-benzoyl-1-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one is Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(Cc3ccc(F)cc3Cl)c2n1.
What is the InChIKey of 3-benzoyl-1-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is AXIJHTPOOHPGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN2O2/c1-14-7-10-18-22(29)19(21(28)15-5-3-2-4-6-15)13-27(23(18)26-14)12-16-8-9-17(25)11-20(16)24/h2-11,13H,12H2,1H3.
What are the key properties of 3-benzoyl-1-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
3-benzoyl-1-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 406.84 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 50759387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).