6,7-dimethoxy-3-[(E)-2-phenylethenyl]quinoline

C19H17NO2 — CID 10017166

IUPAC6,7-dimethoxy-3-[(E)-2-phenylethenyl]quinoline
SMILESCOc1cc2cc(/C=C/c3ccccc3)cnc2cc1OC
InChIInChI=1S/C19H17NO2/c1-21-18-11-16-10-15(9-8-14-6-4-3-5-7-14)13-20-17(16)12-19(18)22-2/h3-13H,1-2H3/b9-8+
InChIKeyNQVBNOPSVRCGSI-CMDGGOBGSA-N
MW291.35 g/mol
LogP4.42
Rot. Bonds4

About 6,7-dimethoxy-3-[(E)-2-phenylethenyl]quinoline

6,7-dimethoxy-3-[(E)-2-phenylethenyl]quinoline (PubChem CID 10017166) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6,7-dimethoxy-3-[(E)-2-phenylethenyl]quinoline.

Molecular Properties

Compound Name6,7-dimethoxy-3-[(E)-2-phenylethenyl]quinoline
PubChem CID10017166
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name6,7-dimethoxy-3-[(E)-2-phenylethenyl]quinoline
SMILESCOc1cc2cc(/C=C/c3ccccc3)cnc2cc1OC
InChIInChI=1S/C19H17NO2/c1-21-18-11-16-10-15(9-8-14-6-4-3-5-7-14)13-20-17(16)12-19(18)22-2/h3-13H,1-2H3/b9-8+
InChIKeyNQVBNOPSVRCGSI-CMDGGOBGSA-N
XLogP4.42
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-[(E)-2-phenylethenyl]quinoline?
The IUPAC name of 6,7-dimethoxy-3-[(E)-2-phenylethenyl]quinoline (CID 10017166) is 6,7-dimethoxy-3-[(E)-2-phenylethenyl]quinoline.
What is the SMILES notation for 6,7-dimethoxy-3-[(E)-2-phenylethenyl]quinoline?
The canonical SMILES for 6,7-dimethoxy-3-[(E)-2-phenylethenyl]quinoline is COc1cc2cc(/C=C/c3ccccc3)cnc2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-[(E)-2-phenylethenyl]quinoline?
The InChIKey is NQVBNOPSVRCGSI-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H17NO2/c1-21-18-11-16-10-15(9-8-14-6-4-3-5-7-14)13-20-17(16)12-19(18)22-2/h3-13H,1-2H3/b9-8+.
What are the key properties of 6,7-dimethoxy-3-[(E)-2-phenylethenyl]quinoline?
6,7-dimethoxy-3-[(E)-2-phenylethenyl]quinoline has a molecular weight of 291.35 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-[(E)-2-phenylethenyl]quinoline is sourced from PubChem (CID 10017166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).