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

C21H34N2O3 — CID 54686077

IUPAC4-hydroxy-2-oxo-N-undecyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCCCCCCCCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C21H34N2O3/c1-2-3-4-5-6-7-8-9-12-15-22-20(25)18-19(24)16-13-10-11-14-17(16)23-21(18)26/h2-15H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyMIPQKURYRCQNLS-UHFFFAOYSA-N
MW362.51 g/mol
LogP4.22
Rot. Bonds11

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

4-hydroxy-2-oxo-N-undecyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 54686077) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-undecyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-undecyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID54686077
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name4-hydroxy-2-oxo-N-undecyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCCCCCCCCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C21H34N2O3/c1-2-3-4-5-6-7-8-9-12-15-22-20(25)18-19(24)16-13-10-11-14-17(16)23-21(18)26/h2-15H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyMIPQKURYRCQNLS-UHFFFAOYSA-N
XLogP4.22
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.22
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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Related Compounds

N-((1-ethylpyrrolidin-2-yl)methyl)-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 54679449
2,4-dihydroxy-N-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 54684651
N-(3-(diethylamino)propyl)-4-hydroxy-2-oxo-1-propyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide hydrochloride
CID 54707976
N-ethyl-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 54676144
2-(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamido)-N,N,N-trimethylethanaminium iodide
CID 54720053
N-(2-(dimethylamino)ethyl)-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 54682388
N-[3-(diethylamino)propyl]-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 54684656
N-[2-(ethylamino)ethyl]-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 54684657
N-[2-(diethylamino)ethyl]-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 54685930
4-hydroxy-N-methyl-2-oxo-1-propyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 54695777
4-Hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 54682391
N-cyclopentyl-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 54684660

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-undecyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-undecyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 54686077) is 4-hydroxy-2-oxo-N-undecyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-undecyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-undecyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCCCCCCCCCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2.
What is the InChIKey of 4-hydroxy-2-oxo-N-undecyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is MIPQKURYRCQNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-2-3-4-5-6-7-8-9-12-15-22-20(25)18-19(24)16-13-10-11-14-17(16)23-21(18)26/h2-15H2,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of 4-hydroxy-2-oxo-N-undecyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-hydroxy-2-oxo-N-undecyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 362.51 g/mol, XLogP of 4.22, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-undecyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54686077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).