1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride

C16H22ClN3O2 — CID 119708965

IUPAC1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2ccc3c(c2)CCC(=O)N3)CCCC1
InChIInChI=1S/C16H21N3O2.ClH/c17-10-16(7-1-2-8-16)15(21)18-12-4-5-13-11(9-12)3-6-14(20)19-13;/h4-5,9H,1-3,6-8,10,17H2,(H,18,21)(H,19,20);1H
InChIKeyPAXDXLUMVMXDGY-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.45
Rot. Bonds3

About 1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride

1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119708965) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119708965
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2ccc3c(c2)CCC(=O)N3)CCCC1
InChIInChI=1S/C16H21N3O2.ClH/c17-10-16(7-1-2-8-16)15(21)18-12-4-5-13-11(9-12)3-6-14(20)19-13;/h4-5,9H,1-3,6-8,10,17H2,(H,18,21)(H,19,20);1H
InChIKeyPAXDXLUMVMXDGY-UHFFFAOYSA-N
XLogP2.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride 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

4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride
CID 120922186
4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide
CID 120931223
7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)heptanamide
CID 43696923
4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 80542372
(2R)-2-cyano-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)spiro[2.4]heptane-2-carboxamide
CID 129347074
4-(methoxymethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 120631048
4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide
CID 119318721
1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 30375883
1-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxamide
CID 119326456
1-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119547298
3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 12810798
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride (CID 119708965) is 1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride is Cl.NCC1(C(=O)Nc2ccc3c(c2)CCC(=O)N3)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is PAXDXLUMVMXDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c17-10-16(7-1-2-8-16)15(21)18-12-4-5-13-11(9-12)3-6-14(20)19-13;/h4-5,9H,1-3,6-8,10,17H2,(H,18,21)(H,19,20);1H.
What are the key properties of 1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride?
1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119708965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).