2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide

C20H19ClN2O2 — CID 100734953

IUPAC2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21
InChIInChI=1S/C20H19ClN2O2/c1-3-14-6-4-5-13(2)20(14)22-19(25)12-23-10-9-18(24)16-11-15(21)7-8-17(16)23/h4-11H,3,12H2,1-2H3,(H,22,25)
InChIKeyFCQMUPGWRKEXEP-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.16
Rot. Bonds4

About 2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide

2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 100734953) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID100734953
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21
InChIInChI=1S/C20H19ClN2O2/c1-3-14-6-4-5-13(2)20(14)22-19(25)12-23-10-9-18(24)16-11-15(21)7-8-17(16)23/h4-11H,3,12H2,1-2H3,(H,22,25)
InChIKeyFCQMUPGWRKEXEP-UHFFFAOYSA-N
XLogP4.16
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100736482
2-(7-chloro-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 100739307
N-(3-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 43832718
N-(3-acetamidophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 100735847
2-(6-chloro-4-oxoquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 100734930
2-(6-chloro-4-oxoquinolin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 100734816
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 100740902
2-(6-chloro-4-oxoquinolin-1-yl)-N-(2,4-dichlorophenyl)acetamide
CID 100735074
N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 100734647
N-(4-chlorophenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741578
N-(2,3-dimethylphenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741423
N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide
CID 108954244

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide (CID 100734953) is 2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21.
What is the InChIKey of 2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is FCQMUPGWRKEXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-3-14-6-4-5-13(2)20(14)22-19(25)12-23-10-9-18(24)16-11-15(21)7-8-17(16)23/h4-11H,3,12H2,1-2H3,(H,22,25).
What are the key properties of 2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 354.84 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 100734953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).