N-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide

C25H20ClN3O4 — CID 53000629

IUPACN-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
SMILESCOc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C25H20ClN3O4/c1-15-3-5-21(20(26)11-15)28-23(30)14-29-13-19(24(31)16-7-9-27-10-8-16)25(32)18-12-17(33-2)4-6-22(18)29/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyCEFYAWWMVUXBTJ-UHFFFAOYSA-N
MW461.91 g/mol
LogP4.24
Rot. Bonds6

About N-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide

N-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide (PubChem CID 53000629) has the molecular formula C25H20ClN3O4 and a molecular weight of 461.91 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
PubChem CID53000629
Molecular FormulaC25H20ClN3O4
Molecular Weight461.91 g/mol
Exact Mass461.11
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
SMILESCOc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C25H20ClN3O4/c1-15-3-5-21(20(26)11-15)28-23(30)14-29-13-19(24(31)16-7-9-27-10-8-16)25(32)18-12-17(33-2)4-6-22(18)29/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyCEFYAWWMVUXBTJ-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

N-(3-chloro-2-methylphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000664
N-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 16825378
N-(3-chloro-4-methylphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000663
N-(2-fluoro-5-methylphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 52998478
N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000650
2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide
CID 53000765
N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000661
2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-phenylacetamide
CID 53000630
2-[6-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53000689
2-[6-ethoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 16825395
N-(5-chloro-2-methoxyphenyl)-2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000945
N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000775

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide (CID 53000629) is N-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide is COc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(C)cc1Cl.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
The InChIKey is CEFYAWWMVUXBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O4/c1-15-3-5-21(20(26)11-15)28-23(30)14-29-13-19(24(31)16-7-9-27-10-8-16)25(32)18-12-17(33-2)4-6-22(18)29/h3-13H,14H2,1-2H3,(H,28,30).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
N-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-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-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide is sourced from PubChem (CID 53000629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).