3-[(E)-3-ethoxyprop-1-enyl]quinoline

C14H15NO — CID 70971810

IUPAC3-[(E)-3-ethoxyprop-1-enyl]quinoline
SMILESCCOC/C=C/c1cnc2ccccc2c1
InChIInChI=1S/C14H15NO/c1-2-16-9-5-6-12-10-13-7-3-4-8-14(13)15-11-12/h3-8,10-11H,2,9H2,1H3/b6-5+
InChIKeyMCHNQDPQTRITNE-AATRIKPKSA-N
MW213.28 g/mol
LogP3.28
Rot. Bonds4

About 3-[(E)-3-ethoxyprop-1-enyl]quinoline

3-[(E)-3-ethoxyprop-1-enyl]quinoline (PubChem CID 70971810) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[(E)-3-ethoxyprop-1-enyl]quinoline.

Molecular Properties

Compound Name3-[(E)-3-ethoxyprop-1-enyl]quinoline
PubChem CID70971810
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-[(E)-3-ethoxyprop-1-enyl]quinoline
SMILESCCOC/C=C/c1cnc2ccccc2c1
InChIInChI=1S/C14H15NO/c1-2-16-9-5-6-12-10-13-7-3-4-8-14(13)15-11-12/h3-8,10-11H,2,9H2,1H3/b6-5+
InChIKeyMCHNQDPQTRITNE-AATRIKPKSA-N
XLogP3.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol
CID 142035517
3-[(E)-2-methoxyethenyl]quinoline
CID 13227319
3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline
CID 59873189
N-ethyl-4-quinolin-3-ylbut-3-en-1-amine
CID 79593603
3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline
CID 122450322
3-[(Z)-2-naphthalen-2-ylethenyl]quinoline
CID 11300516
N-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine
CID 79592558
3-(3-nitrosopent-1-enyl)quinoline
CID 90998630
3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline
CID 11346235
(E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol
CID 134838021
[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene
CID 46845176
3-(2-pyridin-2-ylethenyl)quinoline
CID 66775242

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-ethoxyprop-1-enyl]quinoline?
The IUPAC name of 3-[(E)-3-ethoxyprop-1-enyl]quinoline (CID 70971810) is 3-[(E)-3-ethoxyprop-1-enyl]quinoline.
What is the SMILES notation for 3-[(E)-3-ethoxyprop-1-enyl]quinoline?
The canonical SMILES for 3-[(E)-3-ethoxyprop-1-enyl]quinoline is CCOC/C=C/c1cnc2ccccc2c1.
What is the InChIKey of 3-[(E)-3-ethoxyprop-1-enyl]quinoline?
The InChIKey is MCHNQDPQTRITNE-AATRIKPKSA-N. The full InChI is InChI=1S/C14H15NO/c1-2-16-9-5-6-12-10-13-7-3-4-8-14(13)15-11-12/h3-8,10-11H,2,9H2,1H3/b6-5+.
What are the key properties of 3-[(E)-3-ethoxyprop-1-enyl]quinoline?
3-[(E)-3-ethoxyprop-1-enyl]quinoline has a molecular weight of 213.28 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-ethoxyprop-1-enyl]quinoline is sourced from PubChem (CID 70971810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).