3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline

C17H19NO2 — CID 11346235

IUPAC3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline
SMILESC(=C/c1cnc2ccccc2c1)\COC1CCCCO1
InChIInChI=1S/C17H19NO2/c1-2-8-16-15(7-1)12-14(13-18-16)6-5-11-20-17-9-3-4-10-19-17/h1-2,5-8,12-13,17H,3-4,9-11H2/b6-5+
InChIKeyBGDXHTYMCLXHAN-AATRIKPKSA-N
MW269.34 g/mol
LogP3.79
Rot. Bonds4

About 3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline

3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline (PubChem CID 11346235) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline.

Molecular Properties

Compound Name3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline
PubChem CID11346235
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline
SMILESC(=C/c1cnc2ccccc2c1)\COC1CCCCO1
InChIInChI=1S/C17H19NO2/c1-2-8-16-15(7-1)12-14(13-18-16)6-5-11-20-17-9-3-4-10-19-17/h1-2,5-8,12-13,17H,3-4,9-11H2/b6-5+
InChIKeyBGDXHTYMCLXHAN-AATRIKPKSA-N
XLogP3.79
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]-dioxidoazanium
CID 163750815
3-[(E)-3-ethoxyprop-1-enyl]quinoline
CID 70971810
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone
CID 11817824
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
CID 85204875
(Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
CID 10610568
5-isocyano-7-methyl-2-[4-[3-(oxan-2-yloxy)prop-1-enyl]phenyl]-1,3-benzoxazole
CID 76640939
(2R)-2-[(E)-pent-2-en-4-ynoxy]oxane
CID 95562312
3-[(E)-2-methoxyethenyl]quinoline
CID 13227319
3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline
CID 59873189
2-[(Z)-6-(oxan-2-yloxy)hex-1-enyl]pyridine
CID 10355306

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline?
The IUPAC name of 3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline (CID 11346235) is 3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline.
What is the SMILES notation for 3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline?
The canonical SMILES for 3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline is C(=C/c1cnc2ccccc2c1)\COC1CCCCO1.
What is the InChIKey of 3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline?
The InChIKey is BGDXHTYMCLXHAN-AATRIKPKSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-8-16-15(7-1)12-14(13-18-16)6-5-11-20-17-9-3-4-10-19-17/h1-2,5-8,12-13,17H,3-4,9-11H2/b6-5+.
What are the key properties of 3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline?
3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline has a molecular weight of 269.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline is sourced from PubChem (CID 11346235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).