2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide

C22H26ClN3O2 — CID 119756427

IUPAC2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O2/c1-3-12-22(2,24)21(28)25-18-9-10-19-16(13-18)6-11-20(27)26(19)14-15-4-7-17(23)8-5-15/h4-5,7-10,13H,3,6,11-12,14,24H2,1-2H3,(H,25,28)
InChIKeyJAEAKUZTVABERB-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.28
Rot. Bonds6

About 2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide

2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide (PubChem CID 119756427) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide
PubChem CID119756427
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O2/c1-3-12-22(2,24)21(28)25-18-9-10-19-16(13-18)6-11-20(27)26(19)14-15-4-7-17(23)8-5-15/h4-5,7-10,13H,3,6,11-12,14,24H2,1-2H3,(H,25,28)
InChIKeyJAEAKUZTVABERB-UHFFFAOYSA-N
XLogP4.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide with MolForge

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide
CID 60597542
2,2-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 16926756
3-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]cyclopentane-1-carboxamide
CID 119756405
1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea
CID 30376690
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,2-dimethylpropanamide
CID 16926976
6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide
CID 60597421
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,3-dimethylbutanamide
CID 16926905
N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 146085504
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926840
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-ethylbutanamide
CID 16926863
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-fluorophenyl)acetamide
CID 16926873
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
CID 30376488

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide (CID 119756427) is 2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide?
The InChIKey is JAEAKUZTVABERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-3-12-22(2,24)21(28)25-18-9-10-19-16(13-18)6-11-20(27)26(19)14-15-4-7-17(23)8-5-15/h4-5,7-10,13H,3,6,11-12,14,24H2,1-2H3,(H,25,28).
What are the key properties of 2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide?
2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide has a molecular weight of 399.92 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide is sourced from PubChem (CID 119756427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).