(3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol

C18H21NO — CID 103277579

IUPAC(3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol
SMILESCC1=CC(C)CC(C(O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C18H21NO/c1-12-8-13(2)10-16(9-12)18(20)15-5-6-17-14(11-15)4-3-7-19-17/h3-8,11-12,16,18,20H,9-10H2,1-2H3
InChIKeyXSFKAXYFWQMMAV-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.26
Rot. Bonds2

About (3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol

(3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol (PubChem CID 103277579) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol.

Molecular Properties

Compound Name(3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol
PubChem CID103277579
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol
SMILESCC1=CC(C)CC(C(O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C18H21NO/c1-12-8-13(2)10-16(9-12)18(20)15-5-6-17-14(11-15)4-3-7-19-17/h3-8,11-12,16,18,20H,9-10H2,1-2H3
InChIKeyXSFKAXYFWQMMAV-UHFFFAOYSA-N
XLogP4.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-methyloxolan-2-yl)-quinolin-6-ylmethanol
CID 82837447
oxan-3-yl(quinolin-6-yl)methanol
CID 81215748
(3-methylcyclopentyl)-quinolin-7-ylmethanol
CID 81220222
(3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
CID 103277476
cyclopropyl(quinolin-6-yl)methanamine
CID 55273103
1-(3,5-dimethylcyclohexyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 64729922
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol
CID 115997893
(1-methylcyclopentyl)-quinolin-6-ylmethanol
CID 115826798
cycloheptyl(quinolin-7-yl)methanol
CID 81216722
(4-methylsulfanylphenyl)-quinolin-6-ylmethanol
CID 115826701
2-cycloheptyl-1-quinolin-6-ylethanol
CID 115826801

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol?
The IUPAC name of (3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol (CID 103277579) is (3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol.
What is the SMILES notation for (3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol?
The canonical SMILES for (3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol is CC1=CC(C)CC(C(O)c2ccc3ncccc3c2)C1.
What is the InChIKey of (3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol?
The InChIKey is XSFKAXYFWQMMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-12-8-13(2)10-16(9-12)18(20)15-5-6-17-14(11-15)4-3-7-19-17/h3-8,11-12,16,18,20H,9-10H2,1-2H3.
What are the key properties of (3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol?
(3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol has a molecular weight of 267.37 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol is sourced from PubChem (CID 103277579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).