2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide

C24H16ClF2N3O3 — CID 20929630

IUPAC2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESCc1ccc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(CC(=O)Nc3ccc(F)cc3F)c2n1
InChIInChI=1S/C24H16ClF2N3O3/c1-13-2-8-17-23(33)18(22(32)14-3-5-15(25)6-4-14)11-30(24(17)28-13)12-21(31)29-20-9-7-16(26)10-19(20)27/h2-11H,12H2,1H3,(H,29,31)
InChIKeyWVPZJHFGCVAMAG-UHFFFAOYSA-N
MW467.86 g/mol
LogP4.51
Rot. Bonds5

About 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide

2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 20929630) has the molecular formula C24H16ClF2N3O3 and a molecular weight of 467.86 g/mol. Its IUPAC name is 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
PubChem CID20929630
Molecular FormulaC24H16ClF2N3O3
Molecular Weight467.86 g/mol
Exact Mass467.08
IUPAC Name2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESCc1ccc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(CC(=O)Nc3ccc(F)cc3F)c2n1
InChIInChI=1S/C24H16ClF2N3O3/c1-13-2-8-17-23(33)18(22(32)14-3-5-15(25)6-4-14)11-30(24(17)28-13)12-21(31)29-20-9-7-16(26)10-19(20)27/h2-11H,12H2,1H3,(H,29,31)
InChIKeyWVPZJHFGCVAMAG-UHFFFAOYSA-N
XLogP4.51
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.86
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940970
N-(2,4-difluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929759
N-(3,4-difluorophenyl)-2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929669
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide
CID 20929612
ethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940896
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 20929636
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20929617
ethyl 2-[[2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetyl]amino]benzoate
CID 20929680
N-(2,5-dimethoxyphenyl)-2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929658
2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide
CID 20929649
2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 20929684
N-(2,5-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929530

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide (CID 20929630) is 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide is Cc1ccc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(CC(=O)Nc3ccc(F)cc3F)c2n1.
What is the InChIKey of 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is WVPZJHFGCVAMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF2N3O3/c1-13-2-8-17-23(33)18(22(32)14-3-5-15(25)6-4-14)11-30(24(17)28-13)12-21(31)29-20-9-7-16(26)10-19(20)27/h2-11H,12H2,1H3,(H,29,31).
What are the key properties of 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide?
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 467.86 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 20929630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).