2-(4-chlorophenyl)-2-cyclopropyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide

C21H19ClN2O2 — CID 110616683

IUPAC2-(4-chlorophenyl)-2-cyclopropyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESO=C(NCc1cc2ccccc2[nH]c1=O)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C21H19ClN2O2/c22-17-9-7-14(8-10-17)19(13-5-6-13)21(26)23-12-16-11-15-3-1-2-4-18(15)24-20(16)25/h1-4,7-11,13,19H,5-6,12H2,(H,23,26)(H,24,25)
InChIKeyFLLPLULWXFRQIS-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.99
Rot. Bonds5

About 2-(4-chlorophenyl)-2-cyclopropyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide

2-(4-chlorophenyl)-2-cyclopropyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide (PubChem CID 110616683) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopropyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopropyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
PubChem CID110616683
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name2-(4-chlorophenyl)-2-cyclopropyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESO=C(NCc1cc2ccccc2[nH]c1=O)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C21H19ClN2O2/c22-17-9-7-14(8-10-17)19(13-5-6-13)21(26)23-12-16-11-15-3-1-2-4-18(15)24-20(16)25/h1-4,7-11,13,19H,5-6,12H2,(H,23,26)(H,24,25)
InChIKeyFLLPLULWXFRQIS-UHFFFAOYSA-N
XLogP3.99
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616721
3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110616654
2-cyclopropyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylacetamide
CID 110415384
N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 100696835
2-(4-methoxyphenyl)-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide
CID 110619593
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110413285
2-(2,4-dichlorophenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324293
3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide
CID 110619584
N-[(R)-cyclobutyl(phenyl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 97081084
N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 51949830
3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one
CID 119136081
2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110301101

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide (CID 110616683) is 2-(4-chlorophenyl)-2-cyclopropyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopropyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopropyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide is O=C(NCc1cc2ccccc2[nH]c1=O)C(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopropyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The InChIKey is FLLPLULWXFRQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-17-9-7-14(8-10-17)19(13-5-6-13)21(26)23-12-16-11-15-3-1-2-4-18(15)24-20(16)25/h1-4,7-11,13,19H,5-6,12H2,(H,23,26)(H,24,25).
What are the key properties of 2-(4-chlorophenyl)-2-cyclopropyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide?
2-(4-chlorophenyl)-2-cyclopropyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide has a molecular weight of 366.85 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopropyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide is sourced from PubChem (CID 110616683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).