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

C19H15Cl2NO — CID 7946483

IUPAC5,7-dichloro-2-[(E)-2-(4-ethylphenyl)ethenyl]quinolin-8-ol
SMILESCCc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1
InChIInChI=1S/C19H15Cl2NO/c1-2-12-3-5-13(6-4-12)7-8-14-9-10-15-16(20)11-17(21)19(23)18(15)22-14/h3-11,23H,2H2,1H3/b8-7+
InChIKeyKMTRHCROXFGPSB-BQYQJAHWSA-N
MW344.24 g/mol
LogP5.98
Rot. Bonds3

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

5,7-dichloro-2-[(E)-2-(4-ethylphenyl)ethenyl]quinolin-8-ol (PubChem CID 7946483) has the molecular formula C19H15Cl2NO and a molecular weight of 344.24 g/mol. Its IUPAC name is 5,7-dichloro-2-[(E)-2-(4-ethylphenyl)ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name5,7-dichloro-2-[(E)-2-(4-ethylphenyl)ethenyl]quinolin-8-ol
PubChem CID7946483
Molecular FormulaC19H15Cl2NO
Molecular Weight344.24 g/mol
Exact Mass343.05
IUPAC Name5,7-dichloro-2-[(E)-2-(4-ethylphenyl)ethenyl]quinolin-8-ol
SMILESCCc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1
InChIInChI=1S/C19H15Cl2NO/c1-2-12-3-5-13(6-4-12)7-8-14-9-10-15-16(20)11-17(21)19(23)18(15)22-14/h3-11,23H,2H2,1H3/b8-7+
InChIKeyKMTRHCROXFGPSB-BQYQJAHWSA-N
XLogP5.98
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.24
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-[(E)-2-(4-ethylphenyl)ethenyl]quinolin-8-ol?
The IUPAC name of 5,7-dichloro-2-[(E)-2-(4-ethylphenyl)ethenyl]quinolin-8-ol (CID 7946483) is 5,7-dichloro-2-[(E)-2-(4-ethylphenyl)ethenyl]quinolin-8-ol.
What is the SMILES notation for 5,7-dichloro-2-[(E)-2-(4-ethylphenyl)ethenyl]quinolin-8-ol?
The canonical SMILES for 5,7-dichloro-2-[(E)-2-(4-ethylphenyl)ethenyl]quinolin-8-ol is CCc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1.
What is the InChIKey of 5,7-dichloro-2-[(E)-2-(4-ethylphenyl)ethenyl]quinolin-8-ol?
The InChIKey is KMTRHCROXFGPSB-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H15Cl2NO/c1-2-12-3-5-13(6-4-12)7-8-14-9-10-15-16(20)11-17(21)19(23)18(15)22-14/h3-11,23H,2H2,1H3/b8-7+.
What are the key properties of 5,7-dichloro-2-[(E)-2-(4-ethylphenyl)ethenyl]quinolin-8-ol?
5,7-dichloro-2-[(E)-2-(4-ethylphenyl)ethenyl]quinolin-8-ol has a molecular weight of 344.24 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-[(E)-2-(4-ethylphenyl)ethenyl]quinolin-8-ol is sourced from PubChem (CID 7946483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).