N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride

C16H22ClN3O2 — CID 119654838

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cc(=O)[nH]c2ccccc12.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-16(2,9-17)10-19(3)15(21)12-8-14(20)18-13-7-5-4-6-11(12)13;/h4-8H,9-10,17H2,1-3H3,(H,18,20);1H
InChIKeyHVKNFOQWZSOOSN-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.01
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride (PubChem CID 119654838) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
PubChem CID119654838
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cc(=O)[nH]c2ccccc12.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-16(2,9-17)10-19(3)15(21)12-8-14(20)18-13-7-5-4-6-11(12)13;/h4-8H,9-10,17H2,1-3H3,(H,18,20);1H
InChIKeyHVKNFOQWZSOOSN-UHFFFAOYSA-N
XLogP2.01
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2,2-dimethylpropyl)-N-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-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 119654892
N-benzyl-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 2977763
N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119583320
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 9270290
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872
N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654354
methanamine;2-oxo-1H-quinoline-4-carboxylic acid
CID 143703164
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 18119993
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-(3-amino-2,2-dimethylpropyl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride
CID 119653819
N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654263
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride (CID 119654838) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride is CN(CC(C)(C)CN)C(=O)c1cc(=O)[nH]c2ccccc12.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
The InChIKey is HVKNFOQWZSOOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c1-16(2,9-17)10-19(3)15(21)12-8-14(20)18-13-7-5-4-6-11(12)13;/h4-8H,9-10,17H2,1-3H3,(H,18,20);1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 119654838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).