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

C25H20ClN3O4 — CID 20929576

IUPACN-(3-chlorophenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
SMILESCOc1ccc(C(=O)c2cn(CC(=O)Nc3cccc(Cl)c3)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C25H20ClN3O4/c1-15-6-11-20-24(32)21(23(31)16-7-9-19(33-2)10-8-16)13-29(25(20)27-15)14-22(30)28-18-5-3-4-17(26)12-18/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyWHRKKBUNODGMOM-UHFFFAOYSA-N
MW461.91 g/mol
LogP4.24
Rot. Bonds6

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

N-(3-chlorophenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide (PubChem CID 20929576) has the molecular formula C25H20ClN3O4 and a molecular weight of 461.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
PubChem CID20929576
Molecular FormulaC25H20ClN3O4
Molecular Weight461.91 g/mol
Exact Mass461.11
IUPAC NameN-(3-chlorophenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
SMILESCOc1ccc(C(=O)c2cn(CC(=O)Nc3cccc(Cl)c3)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C25H20ClN3O4/c1-15-6-11-20-24(32)21(23(31)16-7-9-19(33-2)10-8-16)13-29(25(20)27-15)14-22(30)28-18-5-3-4-17(26)12-18/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyWHRKKBUNODGMOM-UHFFFAOYSA-N
XLogP4.24
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20929617
N-(2,6-dimethylphenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929570
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide
CID 20929612
N-(3-chloro-4-fluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929842
2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 20929787
N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929766
2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20929836
2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide
CID 20929649
N-(4-ethoxyphenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929751
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 20929636
N-(3,4-difluorophenyl)-2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929669
N-(3,4-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929548

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide (CID 20929576) is N-(3-chlorophenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide is COc1ccc(C(=O)c2cn(CC(=O)Nc3cccc(Cl)c3)c3nc(C)ccc3c2=O)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The InChIKey is WHRKKBUNODGMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O4/c1-15-6-11-20-24(32)21(23(31)16-7-9-19(33-2)10-8-16)13-29(25(20)27-15)14-22(30)28-18-5-3-4-17(26)12-18/h3-13H,14H2,1-2H3,(H,28,30).
What are the key properties of N-(3-chlorophenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
N-(3-chlorophenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide has a molecular weight of 461.91 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide is sourced from PubChem (CID 20929576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).