4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C16H24N4O3 — CID 54679418

IUPAC4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCCN1CCNCC1)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C16H24N4O3/c21-14-11-3-1-2-4-12(11)19-16(23)13(14)15(22)18-7-10-20-8-5-17-6-9-20/h17H,1-10H2,(H,18,22)(H2,19,21,23)
InChIKeyVHOIILLHQIOSTF-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.41
Rot. Bonds4

About 4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 54679418) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID54679418
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCCN1CCNCC1)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C16H24N4O3/c21-14-11-3-1-2-4-12(11)19-16(23)13(14)15(22)18-7-10-20-8-5-17-6-9-20/h17H,1-10H2,(H,18,22)(H2,19,21,23)
InChIKeyVHOIILLHQIOSTF-UHFFFAOYSA-N
XLogP-0.41
TPSA97.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethylazanium
CID 54720065
N-hexyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54684654
4-hydroxy-2-oxo-N-undecyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54686077
ethyl-[2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethyl]azanium
CID 54711894
4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54684650
4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 54675898
2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119394055
2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide
CID 43600278
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
methyl 4-hydroxy-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate
CID 70278471
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 54679418) is 4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is O=C(NCCN1CCNCC1)c1c(O)c2c([nH]c1=O)CCCC2.
What is the InChIKey of 4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is VHOIILLHQIOSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c21-14-11-3-1-2-4-12(11)19-16(23)13(14)15(22)18-7-10-20-8-5-17-6-9-20/h17H,1-10H2,(H,18,22)(H2,19,21,23).
What are the key properties of 4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of -0.41, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54679418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).