2-oxo-N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride

C17H25ClN4O2 — CID 119391883

IUPAC2-oxo-N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
SMILESCl.O=C1CCc2cc(C(=O)NCCCN3CCNCC3)ccc2N1
InChIInChI=1S/C17H24N4O2.ClH/c22-16-5-3-13-12-14(2-4-15(13)20-16)17(23)19-6-1-9-21-10-7-18-8-11-21;/h2,4,12,18H,1,3,5-11H2,(H,19,23)(H,20,22);1H
InChIKeyMEPPYRUXFBQXCX-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.02
Rot. Bonds5

About 2-oxo-N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride

2-oxo-N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride (PubChem CID 119391883) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 2-oxo-N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-oxo-N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
PubChem CID119391883
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name2-oxo-N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
SMILESCl.O=C1CCc2cc(C(=O)NCCCN3CCNCC3)ccc2N1
InChIInChI=1S/C17H24N4O2.ClH/c22-16-5-3-13-12-14(2-4-15(13)20-16)17(23)19-6-1-9-21-10-7-18-8-11-21;/h2,4,12,18H,1,3,5-11H2,(H,19,23)(H,20,22);1H
InChIKeyMEPPYRUXFBQXCX-UHFFFAOYSA-N
XLogP1.02
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911974
2-oxo-N-[2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 138042901
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119390903
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46410385
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904
N-(3-hydroxypropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797707
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390
3-oxo-N-(2-piperazin-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 119444793
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
The IUPAC name of 2-oxo-N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride (CID 119391883) is 2-oxo-N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride.
What is the SMILES notation for 2-oxo-N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
The canonical SMILES for 2-oxo-N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride is Cl.O=C1CCc2cc(C(=O)NCCCN3CCNCC3)ccc2N1.
What is the InChIKey of 2-oxo-N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
The InChIKey is MEPPYRUXFBQXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c22-16-5-3-13-12-14(2-4-15(13)20-16)17(23)19-6-1-9-21-10-7-18-8-11-21;/h2,4,12,18H,1,3,5-11H2,(H,19,23)(H,20,22);1H.
What are the key properties of 2-oxo-N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
2-oxo-N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride is sourced from PubChem (CID 119391883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).