6-(1,3-dioxolan-2-ylmethyl)quinoline

C13H13NO2 — CID 165178213

IUPAC6-(1,3-dioxolan-2-ylmethyl)quinoline
SMILESc1cnc2ccc(CC3OCCO3)cc2c1
InChIInChI=1S/C13H13NO2/c1-2-11-8-10(3-4-12(11)14-5-1)9-13-15-6-7-16-13/h1-5,8,13H,6-7,9H2
InChIKeyDBMGXYLXQFJYSD-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.15
Rot. Bonds2

About 6-(1,3-dioxolan-2-ylmethyl)quinoline

6-(1,3-dioxolan-2-ylmethyl)quinoline (PubChem CID 165178213) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 6-(1,3-dioxolan-2-ylmethyl)quinoline.

Molecular Properties

Compound Name6-(1,3-dioxolan-2-ylmethyl)quinoline
PubChem CID165178213
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name6-(1,3-dioxolan-2-ylmethyl)quinoline
SMILESc1cnc2ccc(CC3OCCO3)cc2c1
InChIInChI=1S/C13H13NO2/c1-2-11-8-10(3-4-12(11)14-5-1)9-13-15-6-7-16-13/h1-5,8,13H,6-7,9H2
InChIKeyDBMGXYLXQFJYSD-UHFFFAOYSA-N
XLogP2.15
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(oxiran-2-yl)ethyl]quinoline
CID 130239361
4-(quinolin-6-ylmethyl)cyclohexan-1-one
CID 116997362
3-[4-(quinolin-6-ylmethyl)morpholin-2-yl]pyrazin-2-amine
CID 110112796
6-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline
CID 110090986
[(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124983487
6-(azepan-4-ylmethyl)quinoline
CID 155906957
pyrimidin-2-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125019888
6-(2-chloroethyl)quinoline
CID 53404433
6-(2-bromoethyl)quinoline
CID 68811984
2,2-dimethyl-N-(quinolin-6-ylmethyl)cyclopropan-1-amine
CID 61222294
6-(2-ethylcyclopropyl)quinoline
CID 123627698
N'-hydroxy-4-(quinolin-6-ylmethyl)morpholine-2-carboximidamide
CID 79670544

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxolan-2-ylmethyl)quinoline?
The IUPAC name of 6-(1,3-dioxolan-2-ylmethyl)quinoline (CID 165178213) is 6-(1,3-dioxolan-2-ylmethyl)quinoline.
What is the SMILES notation for 6-(1,3-dioxolan-2-ylmethyl)quinoline?
The canonical SMILES for 6-(1,3-dioxolan-2-ylmethyl)quinoline is c1cnc2ccc(CC3OCCO3)cc2c1.
What is the InChIKey of 6-(1,3-dioxolan-2-ylmethyl)quinoline?
The InChIKey is DBMGXYLXQFJYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-11-8-10(3-4-12(11)14-5-1)9-13-15-6-7-16-13/h1-5,8,13H,6-7,9H2.
What are the key properties of 6-(1,3-dioxolan-2-ylmethyl)quinoline?
6-(1,3-dioxolan-2-ylmethyl)quinoline has a molecular weight of 215.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxolan-2-ylmethyl)quinoline is sourced from PubChem (CID 165178213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).