3-bromo-8-chloroquinolin-7-ol;3,8-dichloroquinolin-7-ol

C18H10BrCl3N2O2 — CID 159941982

IUPAC3-bromo-8-chloroquinolin-7-ol;3,8-dichloroquinolin-7-ol
SMILESOc1ccc2cc(Br)cnc2c1Cl.Oc1ccc2cc(Cl)cnc2c1Cl
InChIInChI=1S/C9H5BrClNO.C9H5Cl2NO/c2*10-6-3-5-1-2-7(13)8(11)9(5)12-4-6/h2*1-4,13H
InChIKeyOAZNKORPZOCDPR-UHFFFAOYSA-N
MW472.55 g/mol
LogP6.60
Rot. Bonds

About 3-bromo-8-chloroquinolin-7-ol;3,8-dichloroquinolin-7-ol

3-bromo-8-chloroquinolin-7-ol;3,8-dichloroquinolin-7-ol (PubChem CID 159941982) has the molecular formula C18H10BrCl3N2O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 3-bromo-8-chloroquinolin-7-ol;3,8-dichloroquinolin-7-ol.

Molecular Properties

Compound Name3-bromo-8-chloroquinolin-7-ol;3,8-dichloroquinolin-7-ol
PubChem CID159941982
Molecular FormulaC18H10BrCl3N2O2
Molecular Weight472.55 g/mol
Exact Mass469.90
IUPAC Name3-bromo-8-chloroquinolin-7-ol;3,8-dichloroquinolin-7-ol
SMILESOc1ccc2cc(Br)cnc2c1Cl.Oc1ccc2cc(Cl)cnc2c1Cl
InChIInChI=1S/C9H5BrClNO.C9H5Cl2NO/c2*10-6-3-5-1-2-7(13)8(11)9(5)12-4-6/h2*1-4,13H
InChIKeyOAZNKORPZOCDPR-UHFFFAOYSA-N
XLogP6.60
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-chloroquinolin-7-ol;3,8-dichloroquinolin-7-ol?
The IUPAC name of 3-bromo-8-chloroquinolin-7-ol;3,8-dichloroquinolin-7-ol (CID 159941982) is 3-bromo-8-chloroquinolin-7-ol;3,8-dichloroquinolin-7-ol.
What is the SMILES notation for 3-bromo-8-chloroquinolin-7-ol;3,8-dichloroquinolin-7-ol?
The canonical SMILES for 3-bromo-8-chloroquinolin-7-ol;3,8-dichloroquinolin-7-ol is Oc1ccc2cc(Br)cnc2c1Cl.Oc1ccc2cc(Cl)cnc2c1Cl.
What is the InChIKey of 3-bromo-8-chloroquinolin-7-ol;3,8-dichloroquinolin-7-ol?
The InChIKey is OAZNKORPZOCDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNO.C9H5Cl2NO/c2*10-6-3-5-1-2-7(13)8(11)9(5)12-4-6/h2*1-4,13H.
What are the key properties of 3-bromo-8-chloroquinolin-7-ol;3,8-dichloroquinolin-7-ol?
3-bromo-8-chloroquinolin-7-ol;3,8-dichloroquinolin-7-ol has a molecular weight of 472.55 g/mol, XLogP of 6.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-chloroquinolin-7-ol;3,8-dichloroquinolin-7-ol is sourced from PubChem (CID 159941982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).