N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride

C12H16ClN3O2 — CID 119384935

IUPACN-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H15N3O2.ClH/c13-5-6-14-12(17)9-7-11(16)15-10-4-2-1-3-8(9)10;/h1-4,9H,5-7,13H2,(H,14,17)(H,15,16);1H
InChIKeyGOALCBUTWOPAJP-UHFFFAOYSA-N
MW269.73 g/mol
LogP0.61
Rot. Bonds3

About N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride

N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride (PubChem CID 119384935) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
PubChem CID119384935
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H15N3O2.ClH/c13-5-6-14-12(17)9-7-11(16)15-10-4-2-1-3-8(9)10;/h1-4,9H,5-7,13H2,(H,14,17)(H,15,16);1H
InChIKeyGOALCBUTWOPAJP-UHFFFAOYSA-N
XLogP0.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119503581
N-(2-acetamidoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702913
N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46418891
N-(2-aminoethyl)-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119481836
N-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 166370652
N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42884361
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
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 166416408
(4S)-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97083310
(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51478917

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride (CID 119384935) is N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride is Cl.NCCNC(=O)C1CC(=O)Nc2ccccc21.
What is the InChIKey of N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The InChIKey is GOALCBUTWOPAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2.ClH/c13-5-6-14-12(17)9-7-11(16)15-10-4-2-1-3-8(9)10;/h1-4,9H,5-7,13H2,(H,14,17)(H,15,16);1H.
What are the key properties of N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride has a molecular weight of 269.73 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 119384935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).