N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide

C24H18ClN3O3 — CID 53000650

IUPACN-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
SMILESCc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C24H18ClN3O3/c1-15-2-7-21-19(12-15)24(31)20(23(30)16-8-10-26-11-9-16)13-28(21)14-22(29)27-18-5-3-17(25)4-6-18/h2-13H,14H2,1H3,(H,27,29)
InChIKeyBVYFTMLHTCZXMP-UHFFFAOYSA-N
MW431.88 g/mol
LogP4.23
Rot. Bonds5

About N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide

N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide (PubChem CID 53000650) has the molecular formula C24H18ClN3O3 and a molecular weight of 431.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
PubChem CID53000650
Molecular FormulaC24H18ClN3O3
Molecular Weight431.88 g/mol
Exact Mass431.10
IUPAC NameN-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
SMILESCc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C24H18ClN3O3/c1-15-2-7-21-19(12-15)24(31)20(23(30)16-8-10-26-11-9-16)13-28(21)14-22(29)27-18-5-3-17(25)4-6-18/h2-13H,14H2,1H3,(H,27,29)
InChIKeyBVYFTMLHTCZXMP-UHFFFAOYSA-N
XLogP4.23
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000663
2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-phenylacetamide
CID 53000630
N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000661
N-(2-fluoro-5-methylphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 52998478
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000648
N-(3-chloro-2-methylphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000664
2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 18560402
N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 16825382
2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 18560086
2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide
CID 53000696
N-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000629
2-[6-chloro-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide
CID 18560233

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide (CID 53000650) is N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide is Cc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
The InChIKey is BVYFTMLHTCZXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O3/c1-15-2-7-21-19(12-15)24(31)20(23(30)16-8-10-26-11-9-16)13-28(21)14-22(29)27-18-5-3-17(25)4-6-18/h2-13H,14H2,1H3,(H,27,29).
What are the key properties of N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide has a molecular weight of 431.88 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide is sourced from PubChem (CID 53000650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).