7,8-dichloro-4-methyl-4,5-dihydropyrrolo[1,2-a]quinoxaline

C12H10Cl2N2 — CID 164627477

IUPAC7,8-dichloro-4-methyl-4,5-dihydropyrrolo[1,2-a]quinoxaline
SMILESCC1Nc2cc(Cl)c(Cl)cc2-n2cccc21
InChIInChI=1S/C12H10Cl2N2/c1-7-11-3-2-4-16(11)12-6-9(14)8(13)5-10(12)15-7/h2-7,15H,1H3
InChIKeyOTERRZWCUBMXGQ-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.27
Rot. Bonds

About 7,8-dichloro-4-methyl-4,5-dihydropyrrolo[1,2-a]quinoxaline

7,8-dichloro-4-methyl-4,5-dihydropyrrolo[1,2-a]quinoxaline (PubChem CID 164627477) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 7,8-dichloro-4-methyl-4,5-dihydropyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7,8-dichloro-4-methyl-4,5-dihydropyrrolo[1,2-a]quinoxaline
PubChem CID164627477
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name7,8-dichloro-4-methyl-4,5-dihydropyrrolo[1,2-a]quinoxaline
SMILESCC1Nc2cc(Cl)c(Cl)cc2-n2cccc21
InChIInChI=1S/C12H10Cl2N2/c1-7-11-3-2-4-16(11)12-6-9(14)8(13)5-10(12)15-7/h2-7,15H,1H3
InChIKeyOTERRZWCUBMXGQ-UHFFFAOYSA-N
XLogP4.27
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-4-methyl-4,5-dihydropyrrolo[1,2-a]quinoxaline?
The IUPAC name of 7,8-dichloro-4-methyl-4,5-dihydropyrrolo[1,2-a]quinoxaline (CID 164627477) is 7,8-dichloro-4-methyl-4,5-dihydropyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 7,8-dichloro-4-methyl-4,5-dihydropyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 7,8-dichloro-4-methyl-4,5-dihydropyrrolo[1,2-a]quinoxaline is CC1Nc2cc(Cl)c(Cl)cc2-n2cccc21.
What is the InChIKey of 7,8-dichloro-4-methyl-4,5-dihydropyrrolo[1,2-a]quinoxaline?
The InChIKey is OTERRZWCUBMXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c1-7-11-3-2-4-16(11)12-6-9(14)8(13)5-10(12)15-7/h2-7,15H,1H3.
What are the key properties of 7,8-dichloro-4-methyl-4,5-dihydropyrrolo[1,2-a]quinoxaline?
7,8-dichloro-4-methyl-4,5-dihydropyrrolo[1,2-a]quinoxaline has a molecular weight of 253.13 g/mol, XLogP of 4.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-4-methyl-4,5-dihydropyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 164627477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).