5-methyl-2-quinolin-8-ylhexan-2-ol

C16H21NO — CID 114280033

IUPAC5-methyl-2-quinolin-8-ylhexan-2-ol
SMILESCC(C)CCC(C)(O)c1cccc2cccnc12
InChIInChI=1S/C16H21NO/c1-12(2)9-10-16(3,18)14-8-4-6-13-7-5-11-17-15(13)14/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyLDWVSCXXUJCIRE-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.88
Rot. Bonds4

About 5-methyl-2-quinolin-8-ylhexan-2-ol

5-methyl-2-quinolin-8-ylhexan-2-ol (PubChem CID 114280033) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-methyl-2-quinolin-8-ylhexan-2-ol.

Molecular Properties

Compound Name5-methyl-2-quinolin-8-ylhexan-2-ol
PubChem CID114280033
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name5-methyl-2-quinolin-8-ylhexan-2-ol
SMILESCC(C)CCC(C)(O)c1cccc2cccnc12
InChIInChI=1S/C16H21NO/c1-12(2)9-10-16(3,18)14-8-4-6-13-7-5-11-17-15(13)14/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyLDWVSCXXUJCIRE-UHFFFAOYSA-N
XLogP3.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpropylamino)-2-quinolin-8-ylbutan-2-ol
CID 81221214
5-methyl-1-quinolin-8-ylhexan-1-ol
CID 83158737
3-methyl-N-(2-methylpropyl)-3-quinolin-8-ylbutan-1-amine
CID 81223542
2-quinolin-8-ylpropane-2-thiol
CID 123447185
2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid
CID 83149658
2-methyl-5-(quinolin-8-ylamino)pentan-2-ol
CID 118731137
(2S,3S)-3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-quinolin-8-ylbutan-2-ol
CID 67023694
4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol
CID 64566378
1-phenyl-2-quinolin-8-ylbutan-2-ol
CID 81196654
2-(2-bromophenyl)-6-methylheptan-2-ol
CID 83157247
methanol;quinolin-8-ol
CID 161490698
1-amino-2-methyl-4-quinolin-8-yloxybutan-2-ol
CID 64815238

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-quinolin-8-ylhexan-2-ol?
The IUPAC name of 5-methyl-2-quinolin-8-ylhexan-2-ol (CID 114280033) is 5-methyl-2-quinolin-8-ylhexan-2-ol.
What is the SMILES notation for 5-methyl-2-quinolin-8-ylhexan-2-ol?
The canonical SMILES for 5-methyl-2-quinolin-8-ylhexan-2-ol is CC(C)CCC(C)(O)c1cccc2cccnc12.
What is the InChIKey of 5-methyl-2-quinolin-8-ylhexan-2-ol?
The InChIKey is LDWVSCXXUJCIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12(2)9-10-16(3,18)14-8-4-6-13-7-5-11-17-15(13)14/h4-8,11-12,18H,9-10H2,1-3H3.
What are the key properties of 5-methyl-2-quinolin-8-ylhexan-2-ol?
5-methyl-2-quinolin-8-ylhexan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-quinolin-8-ylhexan-2-ol is sourced from PubChem (CID 114280033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).