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

C15H17FN2O2 — CID 110489754

IUPAC7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide
SMILESO=C(NCCCCCO)c1cnc2cc(F)ccc2c1
InChIInChI=1S/C15H17FN2O2/c16-13-5-4-11-8-12(10-18-14(11)9-13)15(20)17-6-2-1-3-7-19/h4-5,8-10,19H,1-3,6-7H2,(H,17,20)
InChIKeyDBFCOHSHIGNAPO-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.27
Rot. Bonds6

About 7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide

7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide (PubChem CID 110489754) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide
PubChem CID110489754
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide
SMILESO=C(NCCCCCO)c1cnc2cc(F)ccc2c1
InChIInChI=1S/C15H17FN2O2/c16-13-5-4-11-8-12(10-18-14(11)9-13)15(20)17-6-2-1-3-7-19/h4-5,8-10,19H,1-3,6-7H2,(H,17,20)
InChIKeyDBFCOHSHIGNAPO-UHFFFAOYSA-N
XLogP2.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.27
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-(5-hydroxypentyl)quinoline-3-carboxamide
CID 110489508
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide
CID 121494281
5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 103918869
N-[2-(4-fluorophenyl)ethyl]quinoline-3-carboxamide
CID 110694769
7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136439
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616
2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid
CID 110489772
5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide
CID 106843460
6-fluoroquinoline-3-carbohydrazide
CID 119026646
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis(6-hydroxyhexyl)benzene-1,3-dicarboxamide
CID 100967196
5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 103919162

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide?
The IUPAC name of 7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide (CID 110489754) is 7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide is O=C(NCCCCCO)c1cnc2cc(F)ccc2c1.
What is the InChIKey of 7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide?
The InChIKey is DBFCOHSHIGNAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-13-5-4-11-8-12(10-18-14(11)9-13)15(20)17-6-2-1-3-7-19/h4-5,8-10,19H,1-3,6-7H2,(H,17,20).
What are the key properties of 7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide?
7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide is sourced from PubChem (CID 110489754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).