5-chloro-3-(1H-pyrazol-4-yl)quinoxalin-6-ol

C11H7ClN4O — CID 175505273

IUPAC5-chloro-3-(1H-pyrazol-4-yl)quinoxalin-6-ol
SMILESOc1ccc2ncc(-c3cn[nH]c3)nc2c1Cl
InChIInChI=1S/C11H7ClN4O/c12-10-9(17)2-1-7-11(10)16-8(5-13-7)6-3-14-15-4-6/h1-5,17H,(H,14,15)
InChIKeyAOSWURWRSJJHQP-UHFFFAOYSA-N
MW246.66 g/mol
LogP2.38
Rot. Bonds1

About 5-chloro-3-(1H-pyrazol-4-yl)quinoxalin-6-ol

5-chloro-3-(1H-pyrazol-4-yl)quinoxalin-6-ol (PubChem CID 175505273) has the molecular formula C11H7ClN4O and a molecular weight of 246.66 g/mol. Its IUPAC name is 5-chloro-3-(1H-pyrazol-4-yl)quinoxalin-6-ol.

Molecular Properties

Compound Name5-chloro-3-(1H-pyrazol-4-yl)quinoxalin-6-ol
PubChem CID175505273
Molecular FormulaC11H7ClN4O
Molecular Weight246.66 g/mol
Exact Mass246.03
IUPAC Name5-chloro-3-(1H-pyrazol-4-yl)quinoxalin-6-ol
SMILESOc1ccc2ncc(-c3cn[nH]c3)nc2c1Cl
InChIInChI=1S/C11H7ClN4O/c12-10-9(17)2-1-7-11(10)16-8(5-13-7)6-3-14-15-4-6/h1-5,17H,(H,14,15)
InChIKeyAOSWURWRSJJHQP-UHFFFAOYSA-N
XLogP2.38
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1H-pyrazol-4-yl)quinoxalin-6-ol?
The IUPAC name of 5-chloro-3-(1H-pyrazol-4-yl)quinoxalin-6-ol (CID 175505273) is 5-chloro-3-(1H-pyrazol-4-yl)quinoxalin-6-ol.
What is the SMILES notation for 5-chloro-3-(1H-pyrazol-4-yl)quinoxalin-6-ol?
The canonical SMILES for 5-chloro-3-(1H-pyrazol-4-yl)quinoxalin-6-ol is Oc1ccc2ncc(-c3cn[nH]c3)nc2c1Cl.
What is the InChIKey of 5-chloro-3-(1H-pyrazol-4-yl)quinoxalin-6-ol?
The InChIKey is AOSWURWRSJJHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O/c12-10-9(17)2-1-7-11(10)16-8(5-13-7)6-3-14-15-4-6/h1-5,17H,(H,14,15).
What are the key properties of 5-chloro-3-(1H-pyrazol-4-yl)quinoxalin-6-ol?
5-chloro-3-(1H-pyrazol-4-yl)quinoxalin-6-ol has a molecular weight of 246.66 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1H-pyrazol-4-yl)quinoxalin-6-ol is sourced from PubChem (CID 175505273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).