2,2-dimethyl-4-quinolin-6-yloxan-4-ol

C16H19NO2 — CID 81215986

IUPAC2,2-dimethyl-4-quinolin-6-yloxan-4-ol
SMILESCC1(C)CC(O)(c2ccc3ncccc3c2)CCO1
InChIInChI=1S/C16H19NO2/c1-15(2)11-16(18,7-9-19-15)13-5-6-14-12(10-13)4-3-8-17-14/h3-6,8,10,18H,7,9,11H2,1-2H3
InChIKeyYXTZUPKCQHLESV-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.01
Rot. Bonds1

About 2,2-dimethyl-4-quinolin-6-yloxan-4-ol

2,2-dimethyl-4-quinolin-6-yloxan-4-ol (PubChem CID 81215986) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2,2-dimethyl-4-quinolin-6-yloxan-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-quinolin-6-yloxan-4-ol
PubChem CID81215986
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2,2-dimethyl-4-quinolin-6-yloxan-4-ol
SMILESCC1(C)CC(O)(c2ccc3ncccc3c2)CCO1
InChIInChI=1S/C16H19NO2/c1-15(2)11-16(18,7-9-19-15)13-5-6-14-12(10-13)4-3-8-17-14/h3-6,8,10,18H,7,9,11H2,1-2H3
InChIKeyYXTZUPKCQHLESV-UHFFFAOYSA-N
XLogP3.01
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-1-quinolin-6-ylcyclohexan-1-ol
CID 81221437
3-quinolin-6-ylpiperidin-3-ol
CID 81216403
3-quinolin-7-yloxolan-3-ol
CID 81216118
4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol
CID 81196652
4,4-dimethyl-1-quinolin-7-ylcyclohexan-1-ol
CID 81216208
tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate
CID 103775238
2-ethyl-1-quinolin-6-ylcyclopropan-1-ol
CID 79333859
6-(3-bromo-1-methylcyclopentyl)quinoline
CID 116540828
ethane;quinoline-6-carboxylic acid
CID 91364452
(1-methylcyclopentyl)-quinolin-6-ylmethanol
CID 115826798
4-ethyl-1-quinolin-6-ylcyclohexan-1-amine
CID 81216009
6-[(E)-1-fluoroprop-1-enyl]quinoline
CID 173227059

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-quinolin-6-yloxan-4-ol?
The IUPAC name of 2,2-dimethyl-4-quinolin-6-yloxan-4-ol (CID 81215986) is 2,2-dimethyl-4-quinolin-6-yloxan-4-ol.
What is the SMILES notation for 2,2-dimethyl-4-quinolin-6-yloxan-4-ol?
The canonical SMILES for 2,2-dimethyl-4-quinolin-6-yloxan-4-ol is CC1(C)CC(O)(c2ccc3ncccc3c2)CCO1.
What is the InChIKey of 2,2-dimethyl-4-quinolin-6-yloxan-4-ol?
The InChIKey is YXTZUPKCQHLESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-15(2)11-16(18,7-9-19-15)13-5-6-14-12(10-13)4-3-8-17-14/h3-6,8,10,18H,7,9,11H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-quinolin-6-yloxan-4-ol?
2,2-dimethyl-4-quinolin-6-yloxan-4-ol has a molecular weight of 257.33 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-quinolin-6-yloxan-4-ol is sourced from PubChem (CID 81215986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).