5-methyl-1-quinolin-8-ylhexan-1-ol

C16H21NO — CID 83158737

IUPAC5-methyl-1-quinolin-8-ylhexan-1-ol
SMILESCC(C)CCCC(O)c1cccc2cccnc12
InChIInChI=1S/C16H21NO/c1-12(2)6-3-10-15(18)14-9-4-7-13-8-5-11-17-16(13)14/h4-5,7-9,11-12,15,18H,3,6,10H2,1-2H3
InChIKeyPATVAUFZBLFTLB-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.09
Rot. Bonds5

About 5-methyl-1-quinolin-8-ylhexan-1-ol

5-methyl-1-quinolin-8-ylhexan-1-ol (PubChem CID 83158737) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-methyl-1-quinolin-8-ylhexan-1-ol.

Molecular Properties

Compound Name5-methyl-1-quinolin-8-ylhexan-1-ol
PubChem CID83158737
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name5-methyl-1-quinolin-8-ylhexan-1-ol
SMILESCC(C)CCCC(O)c1cccc2cccnc12
InChIInChI=1S/C16H21NO/c1-12(2)6-3-10-15(18)14-9-4-7-13-8-5-11-17-16(13)14/h4-5,7-9,11-12,15,18H,3,6,10H2,1-2H3
InChIKeyPATVAUFZBLFTLB-UHFFFAOYSA-N
XLogP4.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol
CID 64566378
3-methoxy-1-quinolin-8-ylbutan-1-ol
CID 113391294
3-pyridin-4-yl-1-quinolin-8-ylpropan-1-ol
CID 105118771
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290
2-(4-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969152
5-methyl-2-quinolin-8-ylhexan-2-ol
CID 114280033
2-(propan-2-ylamino)-2-quinolin-8-ylethanol
CID 63968321
2-(1-methylimidazol-2-yl)-1-quinolin-8-ylethanol
CID 79744882
2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol
CID 65148875
N-methyl-1-quinolin-8-ylpent-4-yn-1-amine
CID 105148985
2-(3-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969349
2-cyclopentyl-1-quinolin-8-ylethanol
CID 65149248

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-quinolin-8-ylhexan-1-ol?
The IUPAC name of 5-methyl-1-quinolin-8-ylhexan-1-ol (CID 83158737) is 5-methyl-1-quinolin-8-ylhexan-1-ol.
What is the SMILES notation for 5-methyl-1-quinolin-8-ylhexan-1-ol?
The canonical SMILES for 5-methyl-1-quinolin-8-ylhexan-1-ol is CC(C)CCCC(O)c1cccc2cccnc12.
What is the InChIKey of 5-methyl-1-quinolin-8-ylhexan-1-ol?
The InChIKey is PATVAUFZBLFTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12(2)6-3-10-15(18)14-9-4-7-13-8-5-11-17-16(13)14/h4-5,7-9,11-12,15,18H,3,6,10H2,1-2H3.
What are the key properties of 5-methyl-1-quinolin-8-ylhexan-1-ol?
5-methyl-1-quinolin-8-ylhexan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-quinolin-8-ylhexan-1-ol is sourced from PubChem (CID 83158737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).