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

C17H27ClN4O2 — CID 119394055

IUPAC2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C17H26N4O2.ClH/c22-16(19-6-3-9-21-10-7-18-8-11-21)14-12-13-4-1-2-5-15(13)20-17(14)23;/h12,18H,1-11H2,(H,19,22)(H,20,23);1H
InChIKeyZZEQVRCNKNPTOG-UHFFFAOYSA-N
MW354.88 g/mol
LogP0.70
Rot. Bonds5

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

2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride (PubChem CID 119394055) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
PubChem CID119394055
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C17H26N4O2.ClH/c22-16(19-6-3-9-21-10-7-18-8-11-21)14-12-13-4-1-2-5-15(13)20-17(14)23;/h12,18H,1-11H2,(H,19,22)(H,20,23);1H
InChIKeyZZEQVRCNKNPTOG-UHFFFAOYSA-N
XLogP0.70
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[2-(ethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119508881
N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495547
2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391201
N-(3-piperazin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 119393716
2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 120810687
methyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate
CID 137349349
N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 119621149
2-oxo-N-(2-piperidin-3-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 119558878
N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 43443281
3-(1,4-diazepane-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 119418144
2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide
CID 43600278
4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54679418

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride?
The IUPAC name of 2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride (CID 119394055) is 2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride?
The canonical SMILES for 2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride is Cl.O=C(NCCCN1CCNCC1)c1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of 2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride?
The InChIKey is ZZEQVRCNKNPTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c22-16(19-6-3-9-21-10-7-18-8-11-21)14-12-13-4-1-2-5-15(13)20-17(14)23;/h12,18H,1-11H2,(H,19,22)(H,20,23);1H.
What are the key properties of 2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride?
2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 0.70, 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)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119394055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).