2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-8-ol

C20H19NO4 — CID 6091989

IUPAC2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-8-ol
SMILESCOc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(OC)c1OC
InChIInChI=1S/C20H19NO4/c1-23-17-11-13(12-18(24-2)20(17)25-3)7-9-15-10-8-14-5-4-6-16(22)19(14)21-15/h4-12,22H,1-3H3/b9-7+
InChIKeyNISRURWXXKDTGV-VQHVLOKHSA-N
MW337.38 g/mol
LogP4.14
Rot. Bonds5

About 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-8-ol

2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-8-ol (PubChem CID 6091989) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-8-ol
PubChem CID6091989
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-8-ol
SMILESCOc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(OC)c1OC
InChIInChI=1S/C20H19NO4/c1-23-17-11-13(12-18(24-2)20(17)25-3)7-9-15-10-8-14-5-4-6-16(22)19(14)21-15/h4-12,22H,1-3H3/b9-7+
InChIKeyNISRURWXXKDTGV-VQHVLOKHSA-N
XLogP4.14
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-8-ol?
The IUPAC name of 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-8-ol (CID 6091989) is 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-8-ol.
What is the SMILES notation for 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-8-ol?
The canonical SMILES for 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-8-ol is COc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(OC)c1OC.
What is the InChIKey of 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-8-ol?
The InChIKey is NISRURWXXKDTGV-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H19NO4/c1-23-17-11-13(12-18(24-2)20(17)25-3)7-9-15-10-8-14-5-4-6-16(22)19(14)21-15/h4-12,22H,1-3H3/b9-7+.
What are the key properties of 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-8-ol?
2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-8-ol has a molecular weight of 337.38 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-8-ol is sourced from PubChem (CID 6091989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).