2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylquinoline

C20H17NO2 — CID 6214979

IUPAC2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylquinoline
SMILESCc1ccc2nc(/C=C/c3ccc4c(c3)OCCO4)ccc2c1
InChIInChI=1S/C20H17NO2/c1-14-2-8-18-16(12-14)5-7-17(21-18)6-3-15-4-9-19-20(13-15)23-11-10-22-19/h2-9,12-13H,10-11H2,1H3/b6-3+
InChIKeyPVYTXZBMNOCTRF-ZZXKWVIFSA-N
MW303.36 g/mol
LogP4.48
Rot. Bonds2

About 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylquinoline

2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylquinoline (PubChem CID 6214979) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylquinoline.

Molecular Properties

Compound Name2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylquinoline
PubChem CID6214979
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylquinoline
SMILESCc1ccc2nc(/C=C/c3ccc4c(c3)OCCO4)ccc2c1
InChIInChI=1S/C20H17NO2/c1-14-2-8-18-16(12-14)5-7-17(21-18)6-3-15-4-9-19-20(13-15)23-11-10-22-19/h2-9,12-13H,10-11H2,1H3/b6-3+
InChIKeyPVYTXZBMNOCTRF-ZZXKWVIFSA-N
XLogP4.48
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylquinoline?
The IUPAC name of 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylquinoline (CID 6214979) is 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylquinoline.
What is the SMILES notation for 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylquinoline?
The canonical SMILES for 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylquinoline is Cc1ccc2nc(/C=C/c3ccc4c(c3)OCCO4)ccc2c1.
What is the InChIKey of 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylquinoline?
The InChIKey is PVYTXZBMNOCTRF-ZZXKWVIFSA-N. The full InChI is InChI=1S/C20H17NO2/c1-14-2-8-18-16(12-14)5-7-17(21-18)6-3-15-4-9-19-20(13-15)23-11-10-22-19/h2-9,12-13H,10-11H2,1H3/b6-3+.
What are the key properties of 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylquinoline?
2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylquinoline has a molecular weight of 303.36 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylquinoline is sourced from PubChem (CID 6214979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).