2-(4-chlorophenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide

C21H21ClN2O3 — CID 110325570

IUPAC2-(4-chlorophenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide
SMILESCC(C)c1ccc2[nH]c(=O)c(CNC(=O)COc3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C21H21ClN2O3/c1-13(2)14-3-8-19-15(9-14)10-16(21(26)24-19)11-23-20(25)12-27-18-6-4-17(22)5-7-18/h3-10,13H,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCQWITXJASIIDLR-UHFFFAOYSA-N
MW384.86 g/mol
LogP4.00
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide

2-(4-chlorophenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide (PubChem CID 110325570) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide
PubChem CID110325570
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name2-(4-chlorophenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide
SMILESCC(C)c1ccc2[nH]c(=O)c(CNC(=O)COc3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C21H21ClN2O3/c1-13(2)14-3-8-19-15(9-14)10-16(21(26)24-19)11-23-20(25)12-27-18-6-4-17(22)5-7-18/h3-10,13H,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCQWITXJASIIDLR-UHFFFAOYSA-N
XLogP4.00
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenoxy)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324899
2-(2-methoxyphenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide
CID 110325585
2-(4-chlorophenoxy)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324775
N-[4-(5-chloro-1H-indol-2-yl)-4-oxo-2-sulfanylidenebutyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 160871339
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110324791
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110325904
2-(2,4-dichlorophenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324293
2-(4-chlorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324770
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324860
N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1122194
N-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]pyridine-2-carboxamide
CID 110662860
2-(4-chlorophenyl)-2-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616721

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide (CID 110325570) is 2-(4-chlorophenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide is CC(C)c1ccc2[nH]c(=O)c(CNC(=O)COc3ccc(Cl)cc3)cc2c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide?
The InChIKey is CQWITXJASIIDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-13(2)14-3-8-19-15(9-14)10-16(21(26)24-19)11-23-20(25)12-27-18-6-4-17(22)5-7-18/h3-10,13H,11-12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide?
2-(4-chlorophenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide has a molecular weight of 384.86 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide is sourced from PubChem (CID 110325570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).