4-chloroquinoline-5,7-diol

C9H6ClNO2 — CID 170910283

IUPAC4-chloroquinoline-5,7-diol
SMILESOc1cc(O)c2c(Cl)ccnc2c1
InChIInChI=1S/C9H6ClNO2/c10-6-1-2-11-7-3-5(12)4-8(13)9(6)7/h1-4,12-13H
InChIKeySJUKARODRSOJRM-UHFFFAOYSA-N
MW195.61 g/mol
LogP2.30
Rot. Bonds

About 4-chloroquinoline-5,7-diol

4-chloroquinoline-5,7-diol (PubChem CID 170910283) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is 4-chloroquinoline-5,7-diol.

Molecular Properties

Compound Name4-chloroquinoline-5,7-diol
PubChem CID170910283
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name4-chloroquinoline-5,7-diol
SMILESOc1cc(O)c2c(Cl)ccnc2c1
InChIInChI=1S/C9H6ClNO2/c10-6-1-2-11-7-3-5(12)4-8(13)9(6)7/h1-4,12-13H
InChIKeySJUKARODRSOJRM-UHFFFAOYSA-N
XLogP2.30
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloroquinoline-5,7-diol?
The IUPAC name of 4-chloroquinoline-5,7-diol (CID 170910283) is 4-chloroquinoline-5,7-diol.
What is the SMILES notation for 4-chloroquinoline-5,7-diol?
The canonical SMILES for 4-chloroquinoline-5,7-diol is Oc1cc(O)c2c(Cl)ccnc2c1.
What is the InChIKey of 4-chloroquinoline-5,7-diol?
The InChIKey is SJUKARODRSOJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-6-1-2-11-7-3-5(12)4-8(13)9(6)7/h1-4,12-13H.
What are the key properties of 4-chloroquinoline-5,7-diol?
4-chloroquinoline-5,7-diol has a molecular weight of 195.61 g/mol, XLogP of 2.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloroquinoline-5,7-diol is sourced from PubChem (CID 170910283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).