2-[(E)-2-(4-chlorophenyl)ethenyl]quinolin-8-ol

C17H12ClNO — CID 6014368

IUPAC2-[(E)-2-(4-chlorophenyl)ethenyl]quinolin-8-ol
SMILESOc1cccc2ccc(/C=C/c3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H12ClNO/c18-14-8-4-12(5-9-14)6-10-15-11-7-13-2-1-3-16(20)17(13)19-15/h1-11,20H/b10-6+
InChIKeyDMHGGQSGDKMLCZ-UXBLZVDNSA-N
MW281.74 g/mol
LogP4.76
Rot. Bonds2

About 2-[(E)-2-(4-chlorophenyl)ethenyl]quinolin-8-ol

2-[(E)-2-(4-chlorophenyl)ethenyl]quinolin-8-ol (PubChem CID 6014368) has the molecular formula C17H12ClNO and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-[(E)-2-(4-chlorophenyl)ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(E)-2-(4-chlorophenyl)ethenyl]quinolin-8-ol
PubChem CID6014368
Molecular FormulaC17H12ClNO
Molecular Weight281.74 g/mol
Exact Mass281.06
IUPAC Name2-[(E)-2-(4-chlorophenyl)ethenyl]quinolin-8-ol
SMILESOc1cccc2ccc(/C=C/c3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H12ClNO/c18-14-8-4-12(5-9-14)6-10-15-11-7-13-2-1-3-16(20)17(13)19-15/h1-11,20H/b10-6+
InChIKeyDMHGGQSGDKMLCZ-UXBLZVDNSA-N
XLogP4.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]quinolin-8-ol?
The IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]quinolin-8-ol (CID 6014368) is 2-[(E)-2-(4-chlorophenyl)ethenyl]quinolin-8-ol.
What is the SMILES notation for 2-[(E)-2-(4-chlorophenyl)ethenyl]quinolin-8-ol?
The canonical SMILES for 2-[(E)-2-(4-chlorophenyl)ethenyl]quinolin-8-ol is Oc1cccc2ccc(/C=C/c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-[(E)-2-(4-chlorophenyl)ethenyl]quinolin-8-ol?
The InChIKey is DMHGGQSGDKMLCZ-UXBLZVDNSA-N. The full InChI is InChI=1S/C17H12ClNO/c18-14-8-4-12(5-9-14)6-10-15-11-7-13-2-1-3-16(20)17(13)19-15/h1-11,20H/b10-6+.
What are the key properties of 2-[(E)-2-(4-chlorophenyl)ethenyl]quinolin-8-ol?
2-[(E)-2-(4-chlorophenyl)ethenyl]quinolin-8-ol has a molecular weight of 281.74 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-chlorophenyl)ethenyl]quinolin-8-ol is sourced from PubChem (CID 6014368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).