N-(4-hydroxypentyl)quinoline-5-carboxamide

C15H18N2O2 — CID 107300441

IUPACN-(4-hydroxypentyl)quinoline-5-carboxamide
SMILESCC(O)CCCNC(=O)c1cccc2ncccc12
InChIInChI=1S/C15H18N2O2/c1-11(18)5-3-10-17-15(19)13-6-2-8-14-12(13)7-4-9-16-14/h2,4,6-9,11,18H,3,5,10H2,1H3,(H,17,19)
InChIKeyAQJICNPEVFOGPP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.13
Rot. Bonds5

About N-(4-hydroxypentyl)quinoline-5-carboxamide

N-(4-hydroxypentyl)quinoline-5-carboxamide (PubChem CID 107300441) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(4-hydroxypentyl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)quinoline-5-carboxamide
PubChem CID107300441
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(4-hydroxypentyl)quinoline-5-carboxamide
SMILESCC(O)CCCNC(=O)c1cccc2ncccc12
InChIInChI=1S/C15H18N2O2/c1-11(18)5-3-10-17-15(19)13-6-2-8-14-12(13)7-4-9-16-14/h2,4,6-9,11,18H,3,5,10H2,1H3,(H,17,19)
InChIKeyAQJICNPEVFOGPP-UHFFFAOYSA-N
XLogP2.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711
N-[3-(2-aminoethoxy)propyl]quinoline-5-carboxamide
CID 106307791
N-(2,2-diethoxyethyl)quinoline-5-carboxamide
CID 79538723
N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide
CID 26035305
N-(2-azidoethyl)quinoline-5-carboxamide
CID 55126604
(2S,3R)-3-hydroxy-2-(quinoline-5-carbonylamino)butanoic acid
CID 104964931
N-(4-hydroxypentyl)-2-sulfanylbenzamide
CID 106137767
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 103755462
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474
(2R)-2-(quinoline-5-carbonylamino)propanoic acid
CID 54990837
N-(3-bromo-2,2-dimethylpropyl)quinoline-5-carboxamide
CID 115364916

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)quinoline-5-carboxamide?
The IUPAC name of N-(4-hydroxypentyl)quinoline-5-carboxamide (CID 107300441) is N-(4-hydroxypentyl)quinoline-5-carboxamide.
What is the SMILES notation for N-(4-hydroxypentyl)quinoline-5-carboxamide?
The canonical SMILES for N-(4-hydroxypentyl)quinoline-5-carboxamide is CC(O)CCCNC(=O)c1cccc2ncccc12.
What is the InChIKey of N-(4-hydroxypentyl)quinoline-5-carboxamide?
The InChIKey is AQJICNPEVFOGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(18)5-3-10-17-15(19)13-6-2-8-14-12(13)7-4-9-16-14/h2,4,6-9,11,18H,3,5,10H2,1H3,(H,17,19).
What are the key properties of N-(4-hydroxypentyl)quinoline-5-carboxamide?
N-(4-hydroxypentyl)quinoline-5-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)quinoline-5-carboxamide is sourced from PubChem (CID 107300441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).