8-chloro-4-methylpyrrolo[1,2-a]quinoxaline

C12H9ClN2 — CID 90467293

IUPAC8-chloro-4-methylpyrrolo[1,2-a]quinoxaline
SMILESCc1nc2ccc(Cl)cc2n2cccc12
InChIInChI=1S/C12H9ClN2/c1-8-11-3-2-6-15(11)12-7-9(13)4-5-10(12)14-8/h2-7H,1H3
InChIKeyKFPMCOHXIJELOK-UHFFFAOYSA-N
MW216.67 g/mol
LogP3.45
Rot. Bonds

About 8-chloro-4-methylpyrrolo[1,2-a]quinoxaline

8-chloro-4-methylpyrrolo[1,2-a]quinoxaline (PubChem CID 90467293) has the molecular formula C12H9ClN2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 8-chloro-4-methylpyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name8-chloro-4-methylpyrrolo[1,2-a]quinoxaline
PubChem CID90467293
Molecular FormulaC12H9ClN2
Molecular Weight216.67 g/mol
Exact Mass216.05
IUPAC Name8-chloro-4-methylpyrrolo[1,2-a]quinoxaline
SMILESCc1nc2ccc(Cl)cc2n2cccc12
InChIInChI=1S/C12H9ClN2/c1-8-11-3-2-6-15(11)12-7-9(13)4-5-10(12)14-8/h2-7H,1H3
InChIKeyKFPMCOHXIJELOK-UHFFFAOYSA-N
XLogP3.45
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-methylpyrrolo[1,2-a]quinoxaline?
The IUPAC name of 8-chloro-4-methylpyrrolo[1,2-a]quinoxaline (CID 90467293) is 8-chloro-4-methylpyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 8-chloro-4-methylpyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 8-chloro-4-methylpyrrolo[1,2-a]quinoxaline is Cc1nc2ccc(Cl)cc2n2cccc12.
What is the InChIKey of 8-chloro-4-methylpyrrolo[1,2-a]quinoxaline?
The InChIKey is KFPMCOHXIJELOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2/c1-8-11-3-2-6-15(11)12-7-9(13)4-5-10(12)14-8/h2-7H,1H3.
What are the key properties of 8-chloro-4-methylpyrrolo[1,2-a]quinoxaline?
8-chloro-4-methylpyrrolo[1,2-a]quinoxaline has a molecular weight of 216.67 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-methylpyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 90467293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).