2-chloro-7-methoxy-3-phenylquinoxalin-6-ol

C15H11ClN2O2 — CID 142006607

IUPAC2-chloro-7-methoxy-3-phenylquinoxalin-6-ol
SMILESCOc1cc2nc(Cl)c(-c3ccccc3)nc2cc1O
InChIInChI=1S/C15H11ClN2O2/c1-20-13-8-11-10(7-12(13)19)17-14(15(16)18-11)9-5-3-2-4-6-9/h2-8,19H,1H3
InChIKeyHXFXGPBSKMWSJH-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.66
Rot. Bonds2

About 2-chloro-7-methoxy-3-phenylquinoxalin-6-ol

2-chloro-7-methoxy-3-phenylquinoxalin-6-ol (PubChem CID 142006607) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-chloro-7-methoxy-3-phenylquinoxalin-6-ol.

Molecular Properties

Compound Name2-chloro-7-methoxy-3-phenylquinoxalin-6-ol
PubChem CID142006607
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name2-chloro-7-methoxy-3-phenylquinoxalin-6-ol
SMILESCOc1cc2nc(Cl)c(-c3ccccc3)nc2cc1O
InChIInChI=1S/C15H11ClN2O2/c1-20-13-8-11-10(7-12(13)19)17-14(15(16)18-11)9-5-3-2-4-6-9/h2-8,19H,1H3
InChIKeyHXFXGPBSKMWSJH-UHFFFAOYSA-N
XLogP3.66
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methoxy-3-phenylquinoxalin-6-ol?
The IUPAC name of 2-chloro-7-methoxy-3-phenylquinoxalin-6-ol (CID 142006607) is 2-chloro-7-methoxy-3-phenylquinoxalin-6-ol.
What is the SMILES notation for 2-chloro-7-methoxy-3-phenylquinoxalin-6-ol?
The canonical SMILES for 2-chloro-7-methoxy-3-phenylquinoxalin-6-ol is COc1cc2nc(Cl)c(-c3ccccc3)nc2cc1O.
What is the InChIKey of 2-chloro-7-methoxy-3-phenylquinoxalin-6-ol?
The InChIKey is HXFXGPBSKMWSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-20-13-8-11-10(7-12(13)19)17-14(15(16)18-11)9-5-3-2-4-6-9/h2-8,19H,1H3.
What are the key properties of 2-chloro-7-methoxy-3-phenylquinoxalin-6-ol?
2-chloro-7-methoxy-3-phenylquinoxalin-6-ol has a molecular weight of 286.72 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methoxy-3-phenylquinoxalin-6-ol is sourced from PubChem (CID 142006607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).