6-quinolin-4-ylhexan-2-ol

C15H19NO — CID 90935921

IUPAC6-quinolin-4-ylhexan-2-ol
SMILESCC(O)CCCCc1ccnc2ccccc12
InChIInChI=1S/C15H19NO/c1-12(17)6-2-3-7-13-10-11-16-15-9-5-4-8-14(13)15/h4-5,8-12,17H,2-3,6-7H2,1H3
InChIKeyNUKPQSGEDRVCBA-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.33
Rot. Bonds5

About 6-quinolin-4-ylhexan-2-ol

6-quinolin-4-ylhexan-2-ol (PubChem CID 90935921) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 6-quinolin-4-ylhexan-2-ol.

Molecular Properties

Compound Name6-quinolin-4-ylhexan-2-ol
PubChem CID90935921
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name6-quinolin-4-ylhexan-2-ol
SMILESCC(O)CCCCc1ccnc2ccccc12
InChIInChI=1S/C15H19NO/c1-12(17)6-2-3-7-13-10-11-16-15-9-5-4-8-14(13)15/h4-5,8-12,17H,2-3,6-7H2,1H3
InChIKeyNUKPQSGEDRVCBA-UHFFFAOYSA-N
XLogP3.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-quinolin-4-ylhexan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-quinolin-4-ylpropan-1-ol
CID 21218471
4-quinolin-4-ylbutan-1-amine
CID 10559963
4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol
CID 115883104
5-quinolin-4-ylpentan-1-amine
CID 71089574
4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline
CID 67368274
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
(2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol
CID 79253789
(2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid
CID 119943149
4-(2-chlorobutyl)quinoline
CID 63203241
4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one
CID 143524850
1-[4-(quinolin-4-ylmethylsulfanyl)phenyl]ethanol
CID 79232543
(1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol
CID 79231192

Frequently Asked Questions

What is the IUPAC name of 6-quinolin-4-ylhexan-2-ol?
The IUPAC name of 6-quinolin-4-ylhexan-2-ol (CID 90935921) is 6-quinolin-4-ylhexan-2-ol.
What is the SMILES notation for 6-quinolin-4-ylhexan-2-ol?
The canonical SMILES for 6-quinolin-4-ylhexan-2-ol is CC(O)CCCCc1ccnc2ccccc12.
What is the InChIKey of 6-quinolin-4-ylhexan-2-ol?
The InChIKey is NUKPQSGEDRVCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-12(17)6-2-3-7-13-10-11-16-15-9-5-4-8-14(13)15/h4-5,8-12,17H,2-3,6-7H2,1H3.
What are the key properties of 6-quinolin-4-ylhexan-2-ol?
6-quinolin-4-ylhexan-2-ol has a molecular weight of 229.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-quinolin-4-ylhexan-2-ol is sourced from PubChem (CID 90935921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).