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

C26H20ClN3O4 — CID 15988351

IUPACN-(3-acetylphenyl)-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2cc(C(=O)c3cccc(Cl)c3)c(=O)c3ccc(C)nc32)c1
InChIInChI=1S/C26H20ClN3O4/c1-15-9-10-21-25(34)22(24(33)18-6-3-7-19(27)11-18)13-30(26(21)28-15)14-23(32)29-20-8-4-5-17(12-20)16(2)31/h3-13H,14H2,1-2H3,(H,29,32)
InChIKeyGRRXRJHTMWVYMQ-UHFFFAOYSA-N
MW473.92 g/mol
LogP4.43
Rot. Bonds6

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

N-(3-acetylphenyl)-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide (PubChem CID 15988351) has the molecular formula C26H20ClN3O4 and a molecular weight of 473.92 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
PubChem CID15988351
Molecular FormulaC26H20ClN3O4
Molecular Weight473.92 g/mol
Exact Mass473.11
IUPAC NameN-(3-acetylphenyl)-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2cc(C(=O)c3cccc(Cl)c3)c(=O)c3ccc(C)nc32)c1
InChIInChI=1S/C26H20ClN3O4/c1-15-9-10-21-25(34)22(24(33)18-6-3-7-19(27)11-18)13-30(26(21)28-15)14-23(32)29-20-8-4-5-17(12-20)16(2)31/h3-13H,14H2,1-2H3,(H,29,32)
InChIKeyGRRXRJHTMWVYMQ-UHFFFAOYSA-N
XLogP4.43
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.92
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide (CID 15988351) is N-(3-acetylphenyl)-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide is CC(=O)c1cccc(NC(=O)Cn2cc(C(=O)c3cccc(Cl)c3)c(=O)c3ccc(C)nc32)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The InChIKey is GRRXRJHTMWVYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O4/c1-15-9-10-21-25(34)22(24(33)18-6-3-7-19(27)11-18)13-30(26(21)28-15)14-23(32)29-20-8-4-5-17(12-20)16(2)31/h3-13H,14H2,1-2H3,(H,29,32).
What are the key properties of N-(3-acetylphenyl)-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide has a molecular weight of 473.92 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide is sourced from PubChem (CID 15988351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).