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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Related Compounds

3-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 15987637
N-(3-anilino-3-oxo-1-phenylpropyl)-7-chloro-4-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxamide
CID 44140337
N-[(4-chlorophenyl)methyl]-4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxamide
CID 9945283
1-(4-chlorobenzyl)-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4(1H)-one
CID 15988462
N-[(3-chlorophenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 2492224
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 2547456
2-(3-benzoyl-7-methyl-4-oxo-1,8-naphthyridin-1(4H)-yl)-N-benzylacetamide
CID 16024493
N-(2-chloro-4-methylphenyl)-2-(7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1(4H)-yl)acetamide
CID 16024513
N-(4-isopropylphenyl)-2-(7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1(4H)-yl)acetamide
CID 16024517
N-ethyl-2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide
CID 16024579
N-(2,3-dimethylphenyl)-2-(3-(4-ethylbenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1(4H)-yl)acetamide
CID 16024610
3-Chloro-N-[4-methyl-2-(piperidin-1-YL)quinolin-6-YL]benzamide
CID 16033363

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).