6-[(2-methylpropan-2-yl)oxy]quinoline

C13H15NO — CID 59854598

IUPAC6-[(2-methylpropan-2-yl)oxy]quinoline
SMILESCC(C)(C)Oc1ccc2ncccc2c1
InChIInChI=1S/C13H15NO/c1-13(2,3)15-11-6-7-12-10(9-11)5-4-8-14-12/h4-9H,1-3H3
InChIKeyBKMVSQBRYRDJQS-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.41
Rot. Bonds1

About 6-[(2-methylpropan-2-yl)oxy]quinoline

6-[(2-methylpropan-2-yl)oxy]quinoline (PubChem CID 59854598) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxy]quinoline.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxy]quinoline
PubChem CID59854598
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name6-[(2-methylpropan-2-yl)oxy]quinoline
SMILESCC(C)(C)Oc1ccc2ncccc2c1
InChIInChI=1S/C13H15NO/c1-13(2,3)15-11-6-7-12-10(9-11)5-4-8-14-12/h4-9H,1-3H3
InChIKeyBKMVSQBRYRDJQS-UHFFFAOYSA-N
XLogP3.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethene;6-methoxyquinoline
CID 174599262
quinolin-6-yl methanesulfonate
CID 157288502
6-phosphorosooxyquinoline
CID 21130862
quinolin-6-yl formate
CID 57289431
6-prop-2-enoxyquinoline
CID 21107330
6-tridecoxyquinoline
CID 174908858
1-quinolin-6-yloxypropan-2-amine
CID 86262441
2-quinolin-6-yloxyacetonitrile
CID 70448045
6-methylquinoline
CID 7059
6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea
CID 112975832

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxy]quinoline?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxy]quinoline (CID 59854598) is 6-[(2-methylpropan-2-yl)oxy]quinoline.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxy]quinoline?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxy]quinoline is CC(C)(C)Oc1ccc2ncccc2c1.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxy]quinoline?
The InChIKey is BKMVSQBRYRDJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-13(2,3)15-11-6-7-12-10(9-11)5-4-8-14-12/h4-9H,1-3H3.
What are the key properties of 6-[(2-methylpropan-2-yl)oxy]quinoline?
6-[(2-methylpropan-2-yl)oxy]quinoline has a molecular weight of 201.27 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxy]quinoline is sourced from PubChem (CID 59854598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).