N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride

C13H18ClN3O2 — CID 119503581

IUPACN-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
SMILESCNCCNC(=O)C1CC(=O)Nc2ccccc21.Cl
InChIInChI=1S/C13H17N3O2.ClH/c1-14-6-7-15-13(18)10-8-12(17)16-11-5-3-2-4-9(10)11;/h2-5,10,14H,6-8H2,1H3,(H,15,18)(H,16,17);1H
InChIKeyGECKTEFDFAULOT-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.87
Rot. Bonds4

About N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride

N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride (PubChem CID 119503581) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
PubChem CID119503581
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
SMILESCNCCNC(=O)C1CC(=O)Nc2ccccc21.Cl
InChIInChI=1S/C13H17N3O2.ClH/c1-14-6-7-15-13(18)10-8-12(17)16-11-5-3-2-4-9(10)11;/h2-5,10,14H,6-8H2,1H3,(H,15,18)(H,16,17);1H
InChIKeyGECKTEFDFAULOT-UHFFFAOYSA-N
XLogP0.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702913
N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119384935
N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46418891
N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42884361
N-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 166370652
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119526926
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134025863
N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 4616929
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542491
N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46449099
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 166416408

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride (CID 119503581) is N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride is CNCCNC(=O)C1CC(=O)Nc2ccccc21.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The InChIKey is GECKTEFDFAULOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.ClH/c1-14-6-7-15-13(18)10-8-12(17)16-11-5-3-2-4-9(10)11;/h2-5,10,14H,6-8H2,1H3,(H,15,18)(H,16,17);1H.
What are the key properties of N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 119503581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).