5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol

C18H13Cl2NO2 — CID 6187033

IUPAC5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol
SMILESCOc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1
InChIInChI=1S/C18H13Cl2NO2/c1-23-13-7-3-11(4-8-13)2-5-12-6-9-14-15(19)10-16(20)18(22)17(14)21-12/h2-10,22H,1H3/b5-2+
InChIKeyDXLATMMDHMQPDG-GORDUTHDSA-N
MW346.21 g/mol
LogP5.43
Rot. Bonds3

About 5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol

5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol (PubChem CID 6187033) has the molecular formula C18H13Cl2NO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is 5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol
PubChem CID6187033
Molecular FormulaC18H13Cl2NO2
Molecular Weight346.21 g/mol
Exact Mass345.03
IUPAC Name5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol
SMILESCOc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1
InChIInChI=1S/C18H13Cl2NO2/c1-23-13-7-3-11(4-8-13)2-5-12-6-9-14-15(19)10-16(20)18(22)17(14)21-12/h2-10,22H,1H3/b5-2+
InChIKeyDXLATMMDHMQPDG-GORDUTHDSA-N
XLogP5.43
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.21
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol?
The IUPAC name of 5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol (CID 6187033) is 5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol.
What is the SMILES notation for 5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol?
The canonical SMILES for 5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol is COc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1.
What is the InChIKey of 5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol?
The InChIKey is DXLATMMDHMQPDG-GORDUTHDSA-N. The full InChI is InChI=1S/C18H13Cl2NO2/c1-23-13-7-3-11(4-8-13)2-5-12-6-9-14-15(19)10-16(20)18(22)17(14)21-12/h2-10,22H,1H3/b5-2+.
What are the key properties of 5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol?
5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol has a molecular weight of 346.21 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol is sourced from PubChem (CID 6187033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).