6-[2-(oxiran-2-yl)ethyl]quinoline

C13H13NO — CID 130239361

IUPAC6-[2-(oxiran-2-yl)ethyl]quinoline
SMILESc1cnc2ccc(CCC3CO3)cc2c1
InChIInChI=1S/C13H13NO/c1-2-11-8-10(3-5-12-9-15-12)4-6-13(11)14-7-1/h1-2,4,6-8,12H,3,5,9H2
InChIKeyMTCILRHNSKAPBL-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.57
Rot. Bonds3

About 6-[2-(oxiran-2-yl)ethyl]quinoline

6-[2-(oxiran-2-yl)ethyl]quinoline (PubChem CID 130239361) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 6-[2-(oxiran-2-yl)ethyl]quinoline.

Molecular Properties

Compound Name6-[2-(oxiran-2-yl)ethyl]quinoline
PubChem CID130239361
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name6-[2-(oxiran-2-yl)ethyl]quinoline
SMILESc1cnc2ccc(CCC3CO3)cc2c1
InChIInChI=1S/C13H13NO/c1-2-11-8-10(3-5-12-9-15-12)4-6-13(11)14-7-1/h1-2,4,6-8,12H,3,5,9H2
InChIKeyMTCILRHNSKAPBL-UHFFFAOYSA-N
XLogP2.57
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

6-(1,3-dioxolan-2-ylmethyl)quinoline
CID 165178213
6-(2-chloroethyl)quinoline
CID 53404433
6-(2-bromoethyl)quinoline
CID 68811984
3-quinolin-6-ylpropanenitrile
CID 53417284
6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline
CID 116997360
2-(quinolin-6-ylmethoxymethyl)morpholine
CID 114468331
2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine
CID 81210742
1-cyclopropyl-N-methyl-3-quinolin-6-ylpropan-1-amine
CID 81221236
N-(quinolin-6-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 104694189
2-methyl-N-(2-quinolin-6-ylethyl)propan-2-amine
CID 62549001
N-(quinolin-6-ylmethyl)thian-4-amine
CID 115615624
4-methyl-1-quinolin-6-ylpentan-3-amine
CID 81224108

Frequently Asked Questions

What is the IUPAC name of 6-[2-(oxiran-2-yl)ethyl]quinoline?
The IUPAC name of 6-[2-(oxiran-2-yl)ethyl]quinoline (CID 130239361) is 6-[2-(oxiran-2-yl)ethyl]quinoline.
What is the SMILES notation for 6-[2-(oxiran-2-yl)ethyl]quinoline?
The canonical SMILES for 6-[2-(oxiran-2-yl)ethyl]quinoline is c1cnc2ccc(CCC3CO3)cc2c1.
What is the InChIKey of 6-[2-(oxiran-2-yl)ethyl]quinoline?
The InChIKey is MTCILRHNSKAPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-11-8-10(3-5-12-9-15-12)4-6-13(11)14-7-1/h1-2,4,6-8,12H,3,5,9H2.
What are the key properties of 6-[2-(oxiran-2-yl)ethyl]quinoline?
6-[2-(oxiran-2-yl)ethyl]quinoline has a molecular weight of 199.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(oxiran-2-yl)ethyl]quinoline is sourced from PubChem (CID 130239361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).