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

C22H24ClN3O2 — CID 119756405

IUPAC3-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H24ClN3O2/c23-17-5-1-14(2-6-17)13-26-20-9-8-19(12-15(20)4-10-21(26)27)25-22(28)16-3-7-18(24)11-16/h1-2,5-6,8-9,12,16,18H,3-4,7,10-11,13,24H2,(H,25,28)
InChIKeyKUEKGUJAYDTPKR-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.89
Rot. Bonds4

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

3-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]cyclopentane-1-carboxamide (PubChem CID 119756405) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 3-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]cyclopentane-1-carboxamide
PubChem CID119756405
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name3-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H24ClN3O2/c23-17-5-1-14(2-6-17)13-26-20-9-8-19(12-15(20)4-10-21(26)27)25-22(28)16-3-7-18(24)11-16/h1-2,5-6,8-9,12,16,18H,3-4,7,10-11,13,24H2,(H,25,28)
InChIKeyKUEKGUJAYDTPKR-UHFFFAOYSA-N
XLogP3.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide
CID 119756427
6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide
CID 60597421
N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide
CID 60597542
N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 146085504
3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119867921
cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide
CID 133116598
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
CID 30376488
1-[(4-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79784832
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-fluorophenyl)acetamide
CID 16926873
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide
CID 119307604
1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea
CID 30376690

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]cyclopentane-1-carboxamide (CID 119756405) is 3-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]cyclopentane-1-carboxamide?
The InChIKey is KUEKGUJAYDTPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-17-5-1-14(2-6-17)13-26-20-9-8-19(12-15(20)4-10-21(26)27)25-22(28)16-3-7-18(24)11-16/h1-2,5-6,8-9,12,16,18H,3-4,7,10-11,13,24H2,(H,25,28).
What are the key properties of 3-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]cyclopentane-1-carboxamide?
3-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]cyclopentane-1-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119756405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).