N-hexyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C16H24N2O3 — CID 54684654

IUPACN-hexyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCCCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C16H24N2O3/c1-2-3-4-7-10-17-15(20)13-14(19)11-8-5-6-9-12(11)18-16(13)21/h2-10H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyXUFIBOOHLBVAAI-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.27
Rot. Bonds6

About N-hexyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-hexyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 54684654) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-hexyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID54684654
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-hexyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCCCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C16H24N2O3/c1-2-3-4-7-10-17-15(20)13-14(19)11-8-5-6-9-12(11)18-16(13)21/h2-10H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyXUFIBOOHLBVAAI-UHFFFAOYSA-N
XLogP2.27
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-hexyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 54684654) is N-hexyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-hexyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-hexyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCCCCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2.
What is the InChIKey of N-hexyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is XUFIBOOHLBVAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-3-4-7-10-17-15(20)13-14(19)11-8-5-6-9-12(11)18-16(13)21/h2-10H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-hexyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-hexyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54684654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).