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

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Related Compounds

Moxaverine
CID 70882
alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
CID 5059
Graveolinine
CID 11044132
Dimoxyline
CID 21878
Dubamine
CID 360322
2-(4-Methoxyphenyl)quinoline
CID 1481967
Acridine, 1,2,3,4-tetrahydro-9-(2-(3,4-dimethoxyphenyl)ethyl)amino-
CID 22023
6-Ethoxy-2-methylquinoline
CID 81118
Cms-121
CID 135741221
7-(3-Methoxyphenyl)-2-methylquinoline
CID 44432660
4-[1-(4-Methoxyphenyl)ethenyl]-2-methylquinoline
CID 91971313
N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine
CID 715734

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).