5,7-dichloro-2-[(E)-2-naphthalen-2-ylethenyl]quinolin-8-ol

C21H13Cl2NO — CID 7946493

IUPAC5,7-dichloro-2-[(E)-2-naphthalen-2-ylethenyl]quinolin-8-ol
SMILESOc1c(Cl)cc(Cl)c2ccc(/C=C/c3ccc4ccccc4c3)nc12
InChIInChI=1S/C21H13Cl2NO/c22-18-12-19(23)21(25)20-17(18)10-9-16(24-20)8-6-13-5-7-14-3-1-2-4-15(14)11-13/h1-12,25H/b8-6+
InChIKeyUDKGRTDMGIAUGD-SOFGYWHQSA-N
MW366.25 g/mol
LogP6.57
Rot. Bonds2

About 5,7-dichloro-2-[(E)-2-naphthalen-2-ylethenyl]quinolin-8-ol

5,7-dichloro-2-[(E)-2-naphthalen-2-ylethenyl]quinolin-8-ol (PubChem CID 7946493) has the molecular formula C21H13Cl2NO and a molecular weight of 366.25 g/mol. Its IUPAC name is 5,7-dichloro-2-[(E)-2-naphthalen-2-ylethenyl]quinolin-8-ol.

Molecular Properties

Compound Name5,7-dichloro-2-[(E)-2-naphthalen-2-ylethenyl]quinolin-8-ol
PubChem CID7946493
Molecular FormulaC21H13Cl2NO
Molecular Weight366.25 g/mol
Exact Mass365.04
IUPAC Name5,7-dichloro-2-[(E)-2-naphthalen-2-ylethenyl]quinolin-8-ol
SMILESOc1c(Cl)cc(Cl)c2ccc(/C=C/c3ccc4ccccc4c3)nc12
InChIInChI=1S/C21H13Cl2NO/c22-18-12-19(23)21(25)20-17(18)10-9-16(24-20)8-6-13-5-7-14-3-1-2-4-15(14)11-13/h1-12,25H/b8-6+
InChIKeyUDKGRTDMGIAUGD-SOFGYWHQSA-N
XLogP6.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.25
LogP ≤ 56.57
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-naphthalen-2-ylethenyl]quinolin-8-ol?
The IUPAC name of 5,7-dichloro-2-[(E)-2-naphthalen-2-ylethenyl]quinolin-8-ol (CID 7946493) is 5,7-dichloro-2-[(E)-2-naphthalen-2-ylethenyl]quinolin-8-ol.
What is the SMILES notation for 5,7-dichloro-2-[(E)-2-naphthalen-2-ylethenyl]quinolin-8-ol?
The canonical SMILES for 5,7-dichloro-2-[(E)-2-naphthalen-2-ylethenyl]quinolin-8-ol is Oc1c(Cl)cc(Cl)c2ccc(/C=C/c3ccc4ccccc4c3)nc12.
What is the InChIKey of 5,7-dichloro-2-[(E)-2-naphthalen-2-ylethenyl]quinolin-8-ol?
The InChIKey is UDKGRTDMGIAUGD-SOFGYWHQSA-N. The full InChI is InChI=1S/C21H13Cl2NO/c22-18-12-19(23)21(25)20-17(18)10-9-16(24-20)8-6-13-5-7-14-3-1-2-4-15(14)11-13/h1-12,25H/b8-6+.
What are the key properties of 5,7-dichloro-2-[(E)-2-naphthalen-2-ylethenyl]quinolin-8-ol?
5,7-dichloro-2-[(E)-2-naphthalen-2-ylethenyl]quinolin-8-ol has a molecular weight of 366.25 g/mol, XLogP of 6.57, 2 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-naphthalen-2-ylethenyl]quinolin-8-ol is sourced from PubChem (CID 7946493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).