7,8-dichloro-4-methylpyrrolo[1,2-a]quinoxaline

C12H8Cl2N2 — CID 90467417

IUPAC7,8-dichloro-4-methylpyrrolo[1,2-a]quinoxaline
SMILESCc1nc2cc(Cl)c(Cl)cc2n2cccc12
InChIInChI=1S/C12H8Cl2N2/c1-7-11-3-2-4-16(11)12-6-9(14)8(13)5-10(12)15-7/h2-6H,1H3
InChIKeyXSYYAKMJZHEOGW-UHFFFAOYSA-N
MW251.12 g/mol
LogP4.10
Rot. Bonds

About 7,8-dichloro-4-methylpyrrolo[1,2-a]quinoxaline

7,8-dichloro-4-methylpyrrolo[1,2-a]quinoxaline (PubChem CID 90467417) has the molecular formula C12H8Cl2N2 and a molecular weight of 251.12 g/mol. Its IUPAC name is 7,8-dichloro-4-methylpyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7,8-dichloro-4-methylpyrrolo[1,2-a]quinoxaline
PubChem CID90467417
Molecular FormulaC12H8Cl2N2
Molecular Weight251.12 g/mol
Exact Mass250.01
IUPAC Name7,8-dichloro-4-methylpyrrolo[1,2-a]quinoxaline
SMILESCc1nc2cc(Cl)c(Cl)cc2n2cccc12
InChIInChI=1S/C12H8Cl2N2/c1-7-11-3-2-4-16(11)12-6-9(14)8(13)5-10(12)15-7/h2-6H,1H3
InChIKeyXSYYAKMJZHEOGW-UHFFFAOYSA-N
XLogP4.10
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-4-methylpyrrolo[1,2-a]quinoxaline?
The IUPAC name of 7,8-dichloro-4-methylpyrrolo[1,2-a]quinoxaline (CID 90467417) is 7,8-dichloro-4-methylpyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 7,8-dichloro-4-methylpyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 7,8-dichloro-4-methylpyrrolo[1,2-a]quinoxaline is Cc1nc2cc(Cl)c(Cl)cc2n2cccc12.
What is the InChIKey of 7,8-dichloro-4-methylpyrrolo[1,2-a]quinoxaline?
The InChIKey is XSYYAKMJZHEOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2/c1-7-11-3-2-4-16(11)12-6-9(14)8(13)5-10(12)15-7/h2-6H,1H3.
What are the key properties of 7,8-dichloro-4-methylpyrrolo[1,2-a]quinoxaline?
7,8-dichloro-4-methylpyrrolo[1,2-a]quinoxaline has a molecular weight of 251.12 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-4-methylpyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 90467417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).