5-chloroquinolin-8-ol;7-chloroquinolin-8-ol;5,7-dichloroquinolin-8-ol

C27H17Cl4N3O3 — CID 24690

IUPAC5-chloroquinolin-8-ol;7-chloroquinolin-8-ol;5,7-dichloroquinolin-8-ol
SMILESOc1c(Cl)cc(Cl)c2cccnc12.Oc1c(Cl)ccc2cccnc12.Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C9H5Cl2NO.2C9H6ClNO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;10-7-3-4-8(12)9-6(7)2-1-5-11-9;10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-4,13H;2*1-5,12H
InChIKeyXCQBENAYFZFNAR-UHFFFAOYSA-N
MW573.26 g/mol
LogP8.43
Rot. Bonds

About 5-chloroquinolin-8-ol;7-chloroquinolin-8-ol;5,7-dichloroquinolin-8-ol

5-chloroquinolin-8-ol;7-chloroquinolin-8-ol;5,7-dichloroquinolin-8-ol (PubChem CID 24690) has the molecular formula C27H17Cl4N3O3 and a molecular weight of 573.26 g/mol. Its IUPAC name is 5-chloroquinolin-8-ol;7-chloroquinolin-8-ol;5,7-dichloroquinolin-8-ol.

Molecular Properties

Compound Name5-chloroquinolin-8-ol;7-chloroquinolin-8-ol;5,7-dichloroquinolin-8-ol
PubChem CID24690
Molecular FormulaC27H17Cl4N3O3
Molecular Weight573.26 g/mol
Exact Mass571.00
IUPAC Name5-chloroquinolin-8-ol;7-chloroquinolin-8-ol;5,7-dichloroquinolin-8-ol
SMILESOc1c(Cl)cc(Cl)c2cccnc12.Oc1c(Cl)ccc2cccnc12.Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C9H5Cl2NO.2C9H6ClNO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;10-7-3-4-8(12)9-6(7)2-1-5-11-9;10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-4,13H;2*1-5,12H
InChIKeyXCQBENAYFZFNAR-UHFFFAOYSA-N
XLogP8.43
TPSA99.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.26
LogP ≤ 58.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloroquinolin-8-ol;7-chloroquinolin-8-ol;5,7-dichloroquinolin-8-ol?
The IUPAC name of 5-chloroquinolin-8-ol;7-chloroquinolin-8-ol;5,7-dichloroquinolin-8-ol (CID 24690) is 5-chloroquinolin-8-ol;7-chloroquinolin-8-ol;5,7-dichloroquinolin-8-ol.
What is the SMILES notation for 5-chloroquinolin-8-ol;7-chloroquinolin-8-ol;5,7-dichloroquinolin-8-ol?
The canonical SMILES for 5-chloroquinolin-8-ol;7-chloroquinolin-8-ol;5,7-dichloroquinolin-8-ol is Oc1c(Cl)cc(Cl)c2cccnc12.Oc1c(Cl)ccc2cccnc12.Oc1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloroquinolin-8-ol;7-chloroquinolin-8-ol;5,7-dichloroquinolin-8-ol?
The InChIKey is XCQBENAYFZFNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO.2C9H6ClNO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;10-7-3-4-8(12)9-6(7)2-1-5-11-9;10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-4,13H;2*1-5,12H.
What are the key properties of 5-chloroquinolin-8-ol;7-chloroquinolin-8-ol;5,7-dichloroquinolin-8-ol?
5-chloroquinolin-8-ol;7-chloroquinolin-8-ol;5,7-dichloroquinolin-8-ol has a molecular weight of 573.26 g/mol, XLogP of 8.43, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloroquinolin-8-ol;7-chloroquinolin-8-ol;5,7-dichloroquinolin-8-ol is sourced from PubChem (CID 24690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).