N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-3-carboxamide;hydrochloride

C14H18ClN3O2 — CID 119582950

IUPACN-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cc2ccccc2[nH]c1=O.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-9(8-15)17(2)14(19)11-7-10-5-3-4-6-12(10)16-13(11)18;/h3-7,9H,8,15H2,1-2H3,(H,16,18);1H
InChIKeyOQLSGIQMPOVEND-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.37
Rot. Bonds3

About N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-3-carboxamide;hydrochloride

N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-3-carboxamide;hydrochloride (PubChem CID 119582950) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
PubChem CID119582950
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cc2ccccc2[nH]c1=O.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-9(8-15)17(2)14(19)11-7-10-5-3-4-6-12(10)16-13(11)18;/h3-7,9H,8,15H2,1-2H3,(H,16,18);1H
InChIKeyOQLSGIQMPOVEND-UHFFFAOYSA-N
XLogP1.37
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-oxo-1H-quinoline-3-carboxamide
CID 14117619
N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119583320
N-(1-aminopropan-2-yl)-N-methylnaphthalene-1-carboxamide
CID 112701394
N-ethyl-N-(4-methoxyphenyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731840
2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide
CID 42940320
N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 120650317
N-(2-amino-1-cyclopropylethyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119614890
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylacetamide
CID 945365
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119518541
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
3-(1-aminobutan-2-yl)-1H-quinolin-2-one
CID 116985056
N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 119582582

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-3-carboxamide;hydrochloride (CID 119582950) is N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-3-carboxamide;hydrochloride is CC(CN)N(C)C(=O)c1cc2ccccc2[nH]c1=O.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The InChIKey is OQLSGIQMPOVEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c1-9(8-15)17(2)14(19)11-7-10-5-3-4-6-12(10)16-13(11)18;/h3-7,9H,8,15H2,1-2H3,(H,16,18);1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-3-carboxamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-3-carboxamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119582950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).