2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol

C17H21NO — CID 64755422

IUPAC2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol
SMILESCC1CCC(C)C(O)(c2cnc3ccccc3c2)C1
InChIInChI=1S/C17H21NO/c1-12-7-8-13(2)17(19,10-12)15-9-14-5-3-4-6-16(14)18-11-15/h3-6,9,11-13,19H,7-8,10H2,1-2H3
InChIKeyVEBLUXASWWACLE-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.88
Rot. Bonds1

About 2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol

2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol (PubChem CID 64755422) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol
PubChem CID64755422
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol
SMILESCC1CCC(C)C(O)(c2cnc3ccccc3c2)C1
InChIInChI=1S/C17H21NO/c1-12-7-8-13(2)17(19,10-12)15-9-14-5-3-4-6-16(14)18-11-15/h3-6,9,11-13,19H,7-8,10H2,1-2H3
InChIKeyVEBLUXASWWACLE-UHFFFAOYSA-N
XLogP3.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol?
The IUPAC name of 2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol (CID 64755422) is 2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol.
What is the SMILES notation for 2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol?
The canonical SMILES for 2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol is CC1CCC(C)C(O)(c2cnc3ccccc3c2)C1.
What is the InChIKey of 2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol?
The InChIKey is VEBLUXASWWACLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-7-8-13(2)17(19,10-12)15-9-14-5-3-4-6-16(14)18-11-15/h3-6,9,11-13,19H,7-8,10H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol?
2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol is sourced from PubChem (CID 64755422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).