2,2,5,5-tetramethyl-3-quinolin-3-yloxolan-3-ol

C17H21NO2 — CID 79927871

IUPAC2,2,5,5-tetramethyl-3-quinolin-3-yloxolan-3-ol
SMILESCC1(C)CC(O)(c2cnc3ccccc3c2)C(C)(C)O1
InChIInChI=1S/C17H21NO2/c1-15(2)11-17(19,16(3,4)20-15)13-9-12-7-5-6-8-14(12)18-10-13/h5-10,19H,11H2,1-4H3
InChIKeyAHCRQLXZQHRJNZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.40
Rot. Bonds1

About 2,2,5,5-tetramethyl-3-quinolin-3-yloxolan-3-ol

2,2,5,5-tetramethyl-3-quinolin-3-yloxolan-3-ol (PubChem CID 79927871) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-3-quinolin-3-yloxolan-3-ol.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-3-quinolin-3-yloxolan-3-ol
PubChem CID79927871
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2,2,5,5-tetramethyl-3-quinolin-3-yloxolan-3-ol
SMILESCC1(C)CC(O)(c2cnc3ccccc3c2)C(C)(C)O1
InChIInChI=1S/C17H21NO2/c1-15(2)11-17(19,16(3,4)20-15)13-9-12-7-5-6-8-14(12)18-10-13/h5-10,19H,11H2,1-4H3
InChIKeyAHCRQLXZQHRJNZ-UHFFFAOYSA-N
XLogP3.40
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-quinolin-3-ylcyclopentan-1-ol
CID 116539964
3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol
CID 103564190
4-methyl-3-quinolin-3-ylthiolan-3-ol
CID 114285247
2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol
CID 64755422
2,2-dimethyl-1-quinolin-3-ylcyclopentan-1-amine
CID 79857359
cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol
CID 67826676
3-(3-chloro-1-methylcyclopentyl)quinoline
CID 116540254
1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol
CID 64754292
2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol
CID 60925074
3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol
CID 107089667
2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol
CID 112740410
tert-butyl 3-hydroxy-3-quinolin-3-ylazetidine-1-carboxylate
CID 103695996

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-3-quinolin-3-yloxolan-3-ol?
The IUPAC name of 2,2,5,5-tetramethyl-3-quinolin-3-yloxolan-3-ol (CID 79927871) is 2,2,5,5-tetramethyl-3-quinolin-3-yloxolan-3-ol.
What is the SMILES notation for 2,2,5,5-tetramethyl-3-quinolin-3-yloxolan-3-ol?
The canonical SMILES for 2,2,5,5-tetramethyl-3-quinolin-3-yloxolan-3-ol is CC1(C)CC(O)(c2cnc3ccccc3c2)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-3-quinolin-3-yloxolan-3-ol?
The InChIKey is AHCRQLXZQHRJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-15(2)11-17(19,16(3,4)20-15)13-9-12-7-5-6-8-14(12)18-10-13/h5-10,19H,11H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-3-quinolin-3-yloxolan-3-ol?
2,2,5,5-tetramethyl-3-quinolin-3-yloxolan-3-ol has a molecular weight of 271.36 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-3-quinolin-3-yloxolan-3-ol is sourced from PubChem (CID 79927871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).