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

C25H19ClFN3O3 — CID 15988349

IUPAC2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(CC(=O)NCc3ccc(F)cc3)c2n1
InChIInChI=1S/C25H19ClFN3O3/c1-15-5-10-20-24(33)21(23(32)17-3-2-4-18(26)11-17)13-30(25(20)29-15)14-22(31)28-12-16-6-8-19(27)9-7-16/h2-11,13H,12,14H2,1H3,(H,28,31)
InChIKeyDRJRQCHMAXRYBZ-UHFFFAOYSA-N
MW463.90 g/mol
LogP4.04
Rot. Bonds6

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

2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 15988349) has the molecular formula C25H19ClFN3O3 and a molecular weight of 463.90 g/mol. Its IUPAC name is 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID15988349
Molecular FormulaC25H19ClFN3O3
Molecular Weight463.90 g/mol
Exact Mass463.11
IUPAC Name2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(CC(=O)NCc3ccc(F)cc3)c2n1
InChIInChI=1S/C25H19ClFN3O3/c1-15-5-10-20-24(33)21(23(32)17-3-2-4-18(26)11-17)13-30(25(20)29-15)14-22(31)28-12-16-6-8-19(27)9-7-16/h2-11,13H,12,14H2,1H3,(H,28,31)
InChIKeyDRJRQCHMAXRYBZ-UHFFFAOYSA-N
XLogP4.04
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.90
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 15988349) is 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is Cc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(CC(=O)NCc3ccc(F)cc3)c2n1.
What is the InChIKey of 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is DRJRQCHMAXRYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN3O3/c1-15-5-10-20-24(33)21(23(32)17-3-2-4-18(26)11-17)13-30(25(20)29-15)14-22(31)28-12-16-6-8-19(27)9-7-16/h2-11,13H,12,14H2,1H3,(H,28,31).
What are the key properties of 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 463.90 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 15988349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).