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

C24H17ClFN3O3 — CID 53000858

IUPACN-(3-chloro-4-methylphenyl)-2-[7-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3ccc(F)cc32)cc1Cl
InChIInChI=1S/C24H17ClFN3O3/c1-14-2-4-17(11-20(14)25)28-22(30)13-29-12-19(23(31)15-6-8-27-9-7-15)24(32)18-5-3-16(26)10-21(18)29/h2-12H,13H2,1H3,(H,28,30)
InChIKeyYBOMCWBFRUYDNC-UHFFFAOYSA-N
MW449.87 g/mol
LogP4.37
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-2-[7-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide (PubChem CID 53000858) has the molecular formula C24H17ClFN3O3 and a molecular weight of 449.87 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[7-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[7-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
PubChem CID53000858
Molecular FormulaC24H17ClFN3O3
Molecular Weight449.87 g/mol
Exact Mass449.09
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[7-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3ccc(F)cc32)cc1Cl
InChIInChI=1S/C24H17ClFN3O3/c1-14-2-4-17(11-20(14)25)28-22(30)13-29-12-19(23(31)15-6-8-27-9-7-15)24(32)18-5-3-16(26)10-21(18)29/h2-12H,13H2,1H3,(H,28,30)
InChIKeyYBOMCWBFRUYDNC-UHFFFAOYSA-N
XLogP4.37
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.87
LogP ≤ 54.37
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
N-(2-chlorophenyl)-2-[7-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000849
2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-fluorophenyl)acetamide
CID 53000940
N-(3-fluorophenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000787
2-[6-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53000689
N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000650
N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000775
2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide
CID 53000696
2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide
CID 53000765
2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 18560402
2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-phenylacetamide
CID 53000630
N-(5-chloro-2-methoxyphenyl)-2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000945

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[7-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[7-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide (CID 53000858) is N-(3-chloro-4-methylphenyl)-2-[7-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[7-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[7-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide is Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3ccc(F)cc32)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[7-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
The InChIKey is YBOMCWBFRUYDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3O3/c1-14-2-4-17(11-20(14)25)28-22(30)13-29-12-19(23(31)15-6-8-27-9-7-15)24(32)18-5-3-16(26)10-21(18)29/h2-12H,13H2,1H3,(H,28,30).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[7-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[7-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide has a molecular weight of 449.87 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[7-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide is sourced from PubChem (CID 53000858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).