2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide

C25H21N3O4 — CID 53000765

IUPAC2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1ccc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3cccc(C)c3)c2c1
InChIInChI=1S/C25H21N3O4/c1-16-4-3-5-18(12-16)27-23(29)15-28-14-21(24(30)17-8-10-26-11-9-17)25(31)20-7-6-19(32-2)13-22(20)28/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyBWUCGGYHICYBTM-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.58
Rot. Bonds6

About 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide

2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 53000765) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID53000765
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1ccc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3cccc(C)c3)c2c1
InChIInChI=1S/C25H21N3O4/c1-16-4-3-5-18(12-16)27-23(29)15-28-14-21(24(30)17-8-10-26-11-9-17)25(31)20-7-6-19(32-2)13-22(20)28/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyBWUCGGYHICYBTM-UHFFFAOYSA-N
XLogP3.58
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000787
2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide
CID 53000696
N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000775
2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-phenylacetamide
CID 53000630
2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 53000804
N-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000629
2-[6-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53000689
2-[8-(4-methoxybenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide
CID 2136005
N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000661
2-[6-ethoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 16825395
2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-fluorophenyl)acetamide
CID 53000940
2-[3-(3,4-dimethylbenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 2136196

Frequently Asked Questions

What is the IUPAC name of 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide (CID 53000765) is 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide is COc1ccc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3cccc(C)c3)c2c1.
What is the InChIKey of 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is BWUCGGYHICYBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-16-4-3-5-18(12-16)27-23(29)15-28-14-21(24(30)17-8-10-26-11-9-17)25(31)20-7-6-19(32-2)13-22(20)28/h3-14H,15H2,1-2H3,(H,27,29).
What are the key properties of 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide?
2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 427.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 53000765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).