3-[(E)-2-methoxyethenyl]quinoline

C12H11NO — CID 13227319

IUPAC3-[(E)-2-methoxyethenyl]quinoline
SMILESCO/C=C/c1cnc2ccccc2c1
InChIInChI=1S/C12H11NO/c1-14-7-6-10-8-11-4-2-3-5-12(11)13-9-10/h2-9H,1H3/b7-6+
InChIKeyJNYUJVVIRSLQPL-VOTSOKGWSA-N
MW185.23 g/mol
LogP2.85
Rot. Bonds2

About 3-[(E)-2-methoxyethenyl]quinoline

3-[(E)-2-methoxyethenyl]quinoline (PubChem CID 13227319) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-[(E)-2-methoxyethenyl]quinoline.

Molecular Properties

Compound Name3-[(E)-2-methoxyethenyl]quinoline
PubChem CID13227319
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name3-[(E)-2-methoxyethenyl]quinoline
SMILESCO/C=C/c1cnc2ccccc2c1
InChIInChI=1S/C12H11NO/c1-14-7-6-10-8-11-4-2-3-5-12(11)13-9-10/h2-9H,1H3/b7-6+
InChIKeyJNYUJVVIRSLQPL-VOTSOKGWSA-N
XLogP2.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline
CID 59873189
3-[(Z)-2-naphthalen-2-ylethenyl]quinoline
CID 11300516
ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol
CID 142035517
3-[(E)-3-ethoxyprop-1-enyl]quinoline
CID 70971810
(E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol
CID 134838021
3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline
CID 122450322
3-(2-pyridin-2-ylethenyl)quinoline
CID 66775242
(E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 10935131
[3-methoxy-5-[(E)-2-quinolin-3-ylethenyl]phenyl]boronic acid
CID 155715477
(E)-3-quinolin-3-ylprop-2-enoate
CID 6986523
[3-methoxy-5-[(E)-2-quinolin-3-ylethenyl]phenyl]-methylborinic acid
CID 165007774
N-ethyl-4-quinolin-3-ylbut-3-en-1-amine
CID 79593603

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-methoxyethenyl]quinoline?
The IUPAC name of 3-[(E)-2-methoxyethenyl]quinoline (CID 13227319) is 3-[(E)-2-methoxyethenyl]quinoline.
What is the SMILES notation for 3-[(E)-2-methoxyethenyl]quinoline?
The canonical SMILES for 3-[(E)-2-methoxyethenyl]quinoline is CO/C=C/c1cnc2ccccc2c1.
What is the InChIKey of 3-[(E)-2-methoxyethenyl]quinoline?
The InChIKey is JNYUJVVIRSLQPL-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H11NO/c1-14-7-6-10-8-11-4-2-3-5-12(11)13-9-10/h2-9H,1H3/b7-6+.
What are the key properties of 3-[(E)-2-methoxyethenyl]quinoline?
3-[(E)-2-methoxyethenyl]quinoline has a molecular weight of 185.23 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-methoxyethenyl]quinoline is sourced from PubChem (CID 13227319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).