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

C22H21ClN2O2 — CID 110616721

IUPAC2-(4-chlorophenyl)-2-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCc1ccc2[nH]c(=O)c(CNC(=O)C(c3ccc(Cl)cc3)C3CC3)cc2c1
InChIInChI=1S/C22H21ClN2O2/c1-13-2-9-19-16(10-13)11-17(21(26)25-19)12-24-22(27)20(14-3-4-14)15-5-7-18(23)8-6-15/h2,5-11,14,20H,3-4,12H2,1H3,(H,24,27)(H,25,26)
InChIKeyFIUKBKIDYAJINO-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.30
Rot. Bonds5

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

2-(4-chlorophenyl)-2-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (PubChem CID 110616721) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
PubChem CID110616721
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name2-(4-chlorophenyl)-2-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCc1ccc2[nH]c(=O)c(CNC(=O)C(c3ccc(Cl)cc3)C3CC3)cc2c1
InChIInChI=1S/C22H21ClN2O2/c1-13-2-9-19-16(10-13)11-17(21(26)25-19)12-24-22(27)20(14-3-4-14)15-5-7-18(23)8-6-15/h2,5-11,14,20H,3-4,12H2,1H3,(H,24,27)(H,25,26)
InChIKeyFIUKBKIDYAJINO-UHFFFAOYSA-N
XLogP4.30
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-cyclopropyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616683
2-cyclopropyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylacetamide
CID 110415384
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110662673
3-[(cyclopentylamino)methyl]-6-methyl-1H-quinolin-2-one
CID 863819
5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 110619595
2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110608956
1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea
CID 110414626
1-(4-chlorophenyl)-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324551
2-(4-chlorophenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide
CID 110325570
N-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide
CID 110301065
3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1457677

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (CID 110616721) is 2-(4-chlorophenyl)-2-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is Cc1ccc2[nH]c(=O)c(CNC(=O)C(c3ccc(Cl)cc3)C3CC3)cc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The InChIKey is FIUKBKIDYAJINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-13-2-9-19-16(10-13)11-17(21(26)25-19)12-24-22(27)20(14-3-4-14)15-5-7-18(23)8-6-15/h2,5-11,14,20H,3-4,12H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-(4-chlorophenyl)-2-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
2-(4-chlorophenyl)-2-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide has a molecular weight of 380.88 g/mol, XLogP of 4.30, 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-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is sourced from PubChem (CID 110616721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).