2-[(E)-2-(5-bromo-3-ethoxy-2-hydroxyphenyl)ethenyl]quinolin-8-ol

C19H16BrNO3 — CID 135500751

IUPAC2-[(E)-2-(5-bromo-3-ethoxy-2-hydroxyphenyl)ethenyl]quinolin-8-ol
SMILESCCOc1cc(Br)cc(/C=C/c2ccc3cccc(O)c3n2)c1O
InChIInChI=1S/C19H16BrNO3/c1-2-24-17-11-14(20)10-13(19(17)23)7-9-15-8-6-12-4-3-5-16(22)18(12)21-15/h3-11,22-23H,2H2,1H3/b9-7+
InChIKeyCQXNWDSCQVCUKC-VQHVLOKHSA-N
MW386.25 g/mol
LogP4.98
Rot. Bonds4

About 2-[(E)-2-(5-bromo-3-ethoxy-2-hydroxyphenyl)ethenyl]quinolin-8-ol

2-[(E)-2-(5-bromo-3-ethoxy-2-hydroxyphenyl)ethenyl]quinolin-8-ol (PubChem CID 135500751) has the molecular formula C19H16BrNO3 and a molecular weight of 386.25 g/mol. Its IUPAC name is 2-[(E)-2-(5-bromo-3-ethoxy-2-hydroxyphenyl)ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(E)-2-(5-bromo-3-ethoxy-2-hydroxyphenyl)ethenyl]quinolin-8-ol
PubChem CID135500751
Molecular FormulaC19H16BrNO3
Molecular Weight386.25 g/mol
Exact Mass385.03
IUPAC Name2-[(E)-2-(5-bromo-3-ethoxy-2-hydroxyphenyl)ethenyl]quinolin-8-ol
SMILESCCOc1cc(Br)cc(/C=C/c2ccc3cccc(O)c3n2)c1O
InChIInChI=1S/C19H16BrNO3/c1-2-24-17-11-14(20)10-13(19(17)23)7-9-15-8-6-12-4-3-5-16(22)18(12)21-15/h3-11,22-23H,2H2,1H3/b9-7+
InChIKeyCQXNWDSCQVCUKC-VQHVLOKHSA-N
XLogP4.98
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-bromo-3-ethoxy-2-hydroxyphenyl)ethenyl]quinolin-8-ol?
The IUPAC name of 2-[(E)-2-(5-bromo-3-ethoxy-2-hydroxyphenyl)ethenyl]quinolin-8-ol (CID 135500751) is 2-[(E)-2-(5-bromo-3-ethoxy-2-hydroxyphenyl)ethenyl]quinolin-8-ol.
What is the SMILES notation for 2-[(E)-2-(5-bromo-3-ethoxy-2-hydroxyphenyl)ethenyl]quinolin-8-ol?
The canonical SMILES for 2-[(E)-2-(5-bromo-3-ethoxy-2-hydroxyphenyl)ethenyl]quinolin-8-ol is CCOc1cc(Br)cc(/C=C/c2ccc3cccc(O)c3n2)c1O.
What is the InChIKey of 2-[(E)-2-(5-bromo-3-ethoxy-2-hydroxyphenyl)ethenyl]quinolin-8-ol?
The InChIKey is CQXNWDSCQVCUKC-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H16BrNO3/c1-2-24-17-11-14(20)10-13(19(17)23)7-9-15-8-6-12-4-3-5-16(22)18(12)21-15/h3-11,22-23H,2H2,1H3/b9-7+.
What are the key properties of 2-[(E)-2-(5-bromo-3-ethoxy-2-hydroxyphenyl)ethenyl]quinolin-8-ol?
2-[(E)-2-(5-bromo-3-ethoxy-2-hydroxyphenyl)ethenyl]quinolin-8-ol has a molecular weight of 386.25 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-bromo-3-ethoxy-2-hydroxyphenyl)ethenyl]quinolin-8-ol is sourced from PubChem (CID 135500751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).