N-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride

C17H22ClN3O2 — CID 119404378

IUPACN-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
SMILESCl.NC1(CNC(=O)c2cc(=O)[nH]c3ccccc23)CCCCC1
InChIInChI=1S/C17H21N3O2.ClH/c18-17(8-4-1-5-9-17)11-19-16(22)13-10-15(21)20-14-7-3-2-6-12(13)14;/h2-3,6-7,10H,1,4-5,8-9,11,18H2,(H,19,22)(H,20,21);1H
InChIKeyGFNVYQLURJMXBT-UHFFFAOYSA-N
MW335.83 g/mol
LogP2.34
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride (PubChem CID 119404378) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.83 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
PubChem CID119404378
Molecular FormulaC17H22ClN3O2
Molecular Weight335.83 g/mol
Exact Mass335.14
IUPAC NameN-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
SMILESCl.NC1(CNC(=O)c2cc(=O)[nH]c3ccccc23)CCCCC1
InChIInChI=1S/C17H21N3O2.ClH/c18-17(8-4-1-5-9-17)11-19-16(22)13-10-15(21)20-14-7-3-2-6-12(13)14;/h2-3,6-7,10H,1,4-5,8-9,11,18H2,(H,19,22)(H,20,21);1H
InChIKeyGFNVYQLURJMXBT-UHFFFAOYSA-N
XLogP2.34
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-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

N-[[1-(2-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 167855135
N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 166265825
N-[1-(hydroxymethyl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide
CID 62517694
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542774
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
N-(2,3-dihydroxy-2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide
CID 66168370
2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide
CID 18162773
N-[(1-aminocyclobutyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 103352581
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 71753557
2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759
ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 37262146

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride (CID 119404378) is N-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride is Cl.NC1(CNC(=O)c2cc(=O)[nH]c3ccccc23)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
The InChIKey is GFNVYQLURJMXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.ClH/c18-17(8-4-1-5-9-17)11-19-16(22)13-10-15(21)20-14-7-3-2-6-12(13)14;/h2-3,6-7,10H,1,4-5,8-9,11,18H2,(H,19,22)(H,20,21);1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride has a molecular weight of 335.83 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 119404378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).