6-prop-2-enoxyquinoline

C12H11NO — CID 21107330

IUPAC6-prop-2-enoxyquinoline
SMILESC=CCOc1ccc2ncccc2c1
InChIInChI=1S/C12H11NO/c1-2-8-14-11-5-6-12-10(9-11)4-3-7-13-12/h2-7,9H,1,8H2
InChIKeyWRUDSZHYRJKTOP-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.80
Rot. Bonds3

About 6-prop-2-enoxyquinoline

6-prop-2-enoxyquinoline (PubChem CID 21107330) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 6-prop-2-enoxyquinoline.

Molecular Properties

Compound Name6-prop-2-enoxyquinoline
PubChem CID21107330
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name6-prop-2-enoxyquinoline
SMILESC=CCOc1ccc2ncccc2c1
InChIInChI=1S/C12H11NO/c1-2-8-14-11-5-6-12-10(9-11)4-3-7-13-12/h2-7,9H,1,8H2
InChIKeyWRUDSZHYRJKTOP-UHFFFAOYSA-N
XLogP2.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethene;6-methoxyquinoline
CID 174599262
2-quinolin-6-yloxyacetonitrile
CID 70448045
quinolin-6-yl formate
CID 57289431
6-tridecoxyquinoline
CID 174908858
1-quinolin-6-yloxypropan-2-amine
CID 86262441
6-[(2-methylpropan-2-yl)oxy]quinoline
CID 59854598
4-(2-quinolin-6-yloxyethoxy)benzonitrile
CID 56799582
6-[(4-fluorophenyl)methoxy]quinoline
CID 60595158
[4-(quinolin-6-yloxymethyl)phenyl]methanol
CID 110005974
6-phosphorosooxyquinoline
CID 21130862
prop-2-enyl 2-oxo-2-quinolin-6-ylacetate
CID 68561786
6-(azetidin-3-ylmethoxy)quinoline
CID 86262198

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enoxyquinoline?
The IUPAC name of 6-prop-2-enoxyquinoline (CID 21107330) is 6-prop-2-enoxyquinoline.
What is the SMILES notation for 6-prop-2-enoxyquinoline?
The canonical SMILES for 6-prop-2-enoxyquinoline is C=CCOc1ccc2ncccc2c1.
What is the InChIKey of 6-prop-2-enoxyquinoline?
The InChIKey is WRUDSZHYRJKTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-2-8-14-11-5-6-12-10(9-11)4-3-7-13-12/h2-7,9H,1,8H2.
What are the key properties of 6-prop-2-enoxyquinoline?
6-prop-2-enoxyquinoline has a molecular weight of 185.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enoxyquinoline is sourced from PubChem (CID 21107330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).