N-benzyl-2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide

C26H23N3O5 — CID 53000732

IUPACN-benzyl-2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
SMILESCOc1cc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)NCc3ccccc3)c2cc1OC
InChIInChI=1S/C26H23N3O5/c1-33-22-12-19-21(13-23(22)34-2)29(16-24(30)28-14-17-6-4-3-5-7-17)15-20(26(19)32)25(31)18-8-10-27-11-9-18/h3-13,15H,14,16H2,1-2H3,(H,28,30)
InChIKeyAAKUFNUGYAVKNL-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.96
Rot. Bonds8

About N-benzyl-2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide

N-benzyl-2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide (PubChem CID 53000732) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-benzyl-2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
PubChem CID53000732
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC NameN-benzyl-2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
SMILESCOc1cc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)NCc3ccccc3)c2cc1OC
InChIInChI=1S/C26H23N3O5/c1-33-22-12-19-21(13-23(22)34-2)29(16-24(30)28-14-17-6-4-3-5-7-17)15-20(26(19)32)25(31)18-8-10-27-11-9-18/h3-13,15H,14,16H2,1-2H3,(H,28,30)
InChIKeyAAKUFNUGYAVKNL-UHFFFAOYSA-N
XLogP2.96
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 53000739
2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 53000804
2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20868848
2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-phenylacetamide
CID 53000630
2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide
CID 53000696
2-(3-benzoyl-6-methoxy-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 20868843
N-(4-chlorophenyl)-2-[3-(4-ethylbenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 2141192
2-[3-(4-ethylbenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2136553
N-(5-chloro-2-methoxyphenyl)-2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000945
2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide
CID 53000765
N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000775
6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2136839

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide (CID 53000732) is N-benzyl-2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide is COc1cc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)NCc3ccccc3)c2cc1OC.
What is the InChIKey of N-benzyl-2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
The InChIKey is AAKUFNUGYAVKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-33-22-12-19-21(13-23(22)34-2)29(16-24(30)28-14-17-6-4-3-5-7-17)15-20(26(19)32)25(31)18-8-10-27-11-9-18/h3-13,15H,14,16H2,1-2H3,(H,28,30).
What are the key properties of N-benzyl-2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
N-benzyl-2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide has a molecular weight of 457.49 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide is sourced from PubChem (CID 53000732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).