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

C25H19ClFN3O4 — CID 20929842

IUPACN-(3-chloro-4-fluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
SMILESCOc1cccc(C(=O)c2cn(CC(=O)Nc3ccc(F)c(Cl)c3)c3nc(C)ccc3c2=O)c1
InChIInChI=1S/C25H19ClFN3O4/c1-14-6-8-18-24(33)19(23(32)15-4-3-5-17(10-15)34-2)12-30(25(18)28-14)13-22(31)29-16-7-9-21(27)20(26)11-16/h3-12H,13H2,1-2H3,(H,29,31)
InChIKeyLANWPBDRHADDIK-UHFFFAOYSA-N
MW479.90 g/mol
LogP4.38
Rot. Bonds6

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

N-(3-chloro-4-fluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide (PubChem CID 20929842) has the molecular formula C25H19ClFN3O4 and a molecular weight of 479.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
PubChem CID20929842
Molecular FormulaC25H19ClFN3O4
Molecular Weight479.90 g/mol
Exact Mass479.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
SMILESCOc1cccc(C(=O)c2cn(CC(=O)Nc3ccc(F)c(Cl)c3)c3nc(C)ccc3c2=O)c1
InChIInChI=1S/C25H19ClFN3O4/c1-14-6-8-18-24(33)19(23(32)15-4-3-5-17(10-15)34-2)12-30(25(18)28-14)13-22(31)29-16-7-9-21(27)20(26)11-16/h3-12H,13H2,1-2H3,(H,29,31)
InChIKeyLANWPBDRHADDIK-UHFFFAOYSA-N
XLogP4.38
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.90
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929766
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20929617
N-(4-ethoxyphenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929751
N-(2,4-difluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929759
N-(3-chlorophenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929576
2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 20929743
2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929843
2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20929836
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
2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 20929787
N-(2,6-dimethylphenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929570

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide (CID 20929842) is N-(3-chloro-4-fluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide is COc1cccc(C(=O)c2cn(CC(=O)Nc3ccc(F)c(Cl)c3)c3nc(C)ccc3c2=O)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The InChIKey is LANWPBDRHADDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN3O4/c1-14-6-8-18-24(33)19(23(32)15-4-3-5-17(10-15)34-2)12-30(25(18)28-14)13-22(31)29-16-7-9-21(27)20(26)11-16/h3-12H,13H2,1-2H3,(H,29,31).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide has a molecular weight of 479.90 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide is sourced from PubChem (CID 20929842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).