8-hydroxy-N-octadecylquinoline-2-carboxamide

C28H44N2O2 — CID 101042875

IUPAC8-hydroxy-N-octadecylquinoline-2-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1ccc2cccc(O)c2n1
InChIInChI=1S/C28H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-29-28(32)25-22-21-24-19-18-20-26(31)27(24)30-25/h18-22,31H,2-17,23H2,1H3,(H,29,32)
InChIKeyMCOXCZRQMHHZHJ-UHFFFAOYSA-N
MW440.67 g/mol
LogP7.93
Rot. Bonds18

About 8-hydroxy-N-octadecylquinoline-2-carboxamide

8-hydroxy-N-octadecylquinoline-2-carboxamide (PubChem CID 101042875) has the molecular formula C28H44N2O2 and a molecular weight of 440.67 g/mol. Its IUPAC name is 8-hydroxy-N-octadecylquinoline-2-carboxamide.

Molecular Properties

Compound Name8-hydroxy-N-octadecylquinoline-2-carboxamide
PubChem CID101042875
Molecular FormulaC28H44N2O2
Molecular Weight440.67 g/mol
Exact Mass440.34
IUPAC Name8-hydroxy-N-octadecylquinoline-2-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1ccc2cccc(O)c2n1
InChIInChI=1S/C28H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-29-28(32)25-22-21-24-19-18-20-26(31)27(24)30-25/h18-22,31H,2-17,23H2,1H3,(H,29,32)
InChIKeyMCOXCZRQMHHZHJ-UHFFFAOYSA-N
XLogP7.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.67
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-fluoro-N-hexylquinoline-2-carboxamide
CID 110485324
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
N-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide
CID 23729749
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
N-benzyl-8-hydroxyquinoline-2-carboxamide
CID 46364206
4-N,5-N,10-N,11-N,16-N,17-N-hexahexyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene-4,5,10,11,16,17-hexacarboxamide
CID 14294049
2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099433
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-(5-iodopentyl)-6-methylpyridine-2-carboxamide
CID 107322243
2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide
CID 177421665
4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid
CID 110464541
3-hydroxy-N-octylbenzamide
CID 115568584

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-octadecylquinoline-2-carboxamide?
The IUPAC name of 8-hydroxy-N-octadecylquinoline-2-carboxamide (CID 101042875) is 8-hydroxy-N-octadecylquinoline-2-carboxamide.
What is the SMILES notation for 8-hydroxy-N-octadecylquinoline-2-carboxamide?
The canonical SMILES for 8-hydroxy-N-octadecylquinoline-2-carboxamide is CCCCCCCCCCCCCCCCCCNC(=O)c1ccc2cccc(O)c2n1.
What is the InChIKey of 8-hydroxy-N-octadecylquinoline-2-carboxamide?
The InChIKey is MCOXCZRQMHHZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-29-28(32)25-22-21-24-19-18-20-26(31)27(24)30-25/h18-22,31H,2-17,23H2,1H3,(H,29,32).
What are the key properties of 8-hydroxy-N-octadecylquinoline-2-carboxamide?
8-hydroxy-N-octadecylquinoline-2-carboxamide has a molecular weight of 440.67 g/mol, XLogP of 7.93, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-octadecylquinoline-2-carboxamide is sourced from PubChem (CID 101042875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).