N-(5-hydroxypentyl)quinoline-3-carboxamide

C15H18N2O2 — CID 110489508

IUPACN-(5-hydroxypentyl)quinoline-3-carboxamide
SMILESO=C(NCCCCCO)c1cnc2ccccc2c1
InChIInChI=1S/C15H18N2O2/c18-9-5-1-4-8-16-15(19)13-10-12-6-2-3-7-14(12)17-11-13/h2-3,6-7,10-11,18H,1,4-5,8-9H2,(H,16,19)
InChIKeyKNQQQAUHLZMWRT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.13
Rot. Bonds6

About N-(5-hydroxypentyl)quinoline-3-carboxamide

N-(5-hydroxypentyl)quinoline-3-carboxamide (PubChem CID 110489508) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(5-hydroxypentyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)quinoline-3-carboxamide
PubChem CID110489508
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(5-hydroxypentyl)quinoline-3-carboxamide
SMILESO=C(NCCCCCO)c1cnc2ccccc2c1
InChIInChI=1S/C15H18N2O2/c18-9-5-1-4-8-16-15(19)13-10-12-6-2-3-7-14(12)17-11-13/h2-3,6-7,10-11,18H,1,4-5,8-9H2,(H,16,19)
InChIKeyKNQQQAUHLZMWRT-UHFFFAOYSA-N
XLogP2.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.13
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

7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide
CID 110489754
N-[2-(2-hydroxyethoxy)ethyl]quinoline-3-carboxamide
CID 110489496
N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742
N-[2-(4-fluorophenyl)ethyl]quinoline-3-carboxamide
CID 110694769
5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 103918869
N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 10361759
N-(4-hydroxybutyl)acridine-4-carboxamide
CID 11033729
N-octylquinoline-6-carboxamide
CID 68863650
N-(2-hydroxyethyl)-1,5-naphthyridine-3-carboxamide
CID 91250123
3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid
CID 110489479
N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
CID 171577203
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)quinoline-3-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)quinoline-3-carboxamide (CID 110489508) is N-(5-hydroxypentyl)quinoline-3-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)quinoline-3-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)quinoline-3-carboxamide is O=C(NCCCCCO)c1cnc2ccccc2c1.
What is the InChIKey of N-(5-hydroxypentyl)quinoline-3-carboxamide?
The InChIKey is KNQQQAUHLZMWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-9-5-1-4-8-16-15(19)13-10-12-6-2-3-7-14(12)17-11-13/h2-3,6-7,10-11,18H,1,4-5,8-9H2,(H,16,19).
What are the key properties of N-(5-hydroxypentyl)quinoline-3-carboxamide?
N-(5-hydroxypentyl)quinoline-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)quinoline-3-carboxamide is sourced from PubChem (CID 110489508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).