N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride

C18H22ClN3O2 — CID 119529374

IUPACN-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
SMILESCl.NC(CNC(=O)c1cc2c([nH]c1=O)CCCC2)c1ccccc1
InChIInChI=1S/C18H21N3O2.ClH/c19-15(12-6-2-1-3-7-12)11-20-17(22)14-10-13-8-4-5-9-16(13)21-18(14)23;/h1-3,6-7,10,15H,4-5,8-9,11,19H2,(H,20,22)(H,21,23);1H
InChIKeyWBGPJNBFHJSPFO-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.11
Rot. Bonds4

About N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride

N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride (PubChem CID 119529374) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
PubChem CID119529374
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC NameN-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
SMILESCl.NC(CNC(=O)c1cc2c([nH]c1=O)CCCC2)c1ccccc1
InChIInChI=1S/C18H21N3O2.ClH/c19-15(12-6-2-1-3-7-12)11-20-17(22)14-10-13-8-4-5-9-16(13)21-18(14)23;/h1-3,6-7,10,15H,4-5,8-9,11,19H2,(H,20,22)(H,21,23);1H
InChIKeyWBGPJNBFHJSPFO-UHFFFAOYSA-N
XLogP2.11
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-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

(2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid
CID 119368016
N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 96522518
2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 97078438
N-[2-(ethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119508881
N-[(4-methylphenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495254
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 51596082
N-(2-amino-2-phenylethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806521
2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 46964328
2-oxo-N-[(E)-3-[(4-phenylphenyl)sulfonimidoyl]prop-2-enyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 170637961
3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid
CID 119169921
2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71892103
N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 119621149

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride (CID 119529374) is N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride is Cl.NC(CNC(=O)c1cc2c([nH]c1=O)CCCC2)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride?
The InChIKey is WBGPJNBFHJSPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2.ClH/c19-15(12-6-2-1-3-7-12)11-20-17(22)14-10-13-8-4-5-9-16(13)21-18(14)23;/h1-3,6-7,10,15H,4-5,8-9,11,19H2,(H,20,22)(H,21,23);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride?
N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride has a molecular weight of 347.85 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119529374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).