4-(4-methylphenyl)-8-pyrrol-1-ylpyrrolo[1,2-a]quinoxaline

C22H17N3 — CID 56925517

IUPAC4-(4-methylphenyl)-8-pyrrol-1-ylpyrrolo[1,2-a]quinoxaline
SMILESCc1ccc(-c2nc3ccc(-n4cccc4)cc3n3cccc23)cc1
InChIInChI=1S/C22H17N3/c1-16-6-8-17(9-7-16)22-20-5-4-14-25(20)21-15-18(10-11-19(21)23-22)24-12-2-3-13-24/h2-15H,1H3
InChIKeyJDGJEPCZRJKFIU-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.25
Rot. Bonds2

About 4-(4-methylphenyl)-8-pyrrol-1-ylpyrrolo[1,2-a]quinoxaline

4-(4-methylphenyl)-8-pyrrol-1-ylpyrrolo[1,2-a]quinoxaline (PubChem CID 56925517) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(4-methylphenyl)-8-pyrrol-1-ylpyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-(4-methylphenyl)-8-pyrrol-1-ylpyrrolo[1,2-a]quinoxaline
PubChem CID56925517
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC Name4-(4-methylphenyl)-8-pyrrol-1-ylpyrrolo[1,2-a]quinoxaline
SMILESCc1ccc(-c2nc3ccc(-n4cccc4)cc3n3cccc23)cc1
InChIInChI=1S/C22H17N3/c1-16-6-8-17(9-7-16)22-20-5-4-14-25(20)21-15-18(10-11-19(21)23-22)24-12-2-3-13-24/h2-15H,1H3
InChIKeyJDGJEPCZRJKFIU-UHFFFAOYSA-N
XLogP5.25
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-4-phenylpyrrolo[1,2-a]quinoxaline
CID 132523762
1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine
CID 132965985
4-(4-iodophenyl)pyrrolo[1,2-a]quinoxaline
CID 162419329
8-methyl-4-propan-2-ylpyrrolo[1,2-a]quinoxaline
CID 177493364
N,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline
CID 132545400
2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline
CID 59288750
3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine
CID 132506865
(4-methylphenyl)-(1-phenylimidazo[1,5-a]pyridin-3-yl)methanone
CID 163207391
4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline
CID 155806764
1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole
CID 141305843
4-(4-methylphenoxy)pyrrolo[1,2-a]quinoxaline
CID 1471608
1-phenyl-3-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)ethyl]imidazo[1,5-a]pyridine
CID 132506858

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-8-pyrrol-1-ylpyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-(4-methylphenyl)-8-pyrrol-1-ylpyrrolo[1,2-a]quinoxaline (CID 56925517) is 4-(4-methylphenyl)-8-pyrrol-1-ylpyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-(4-methylphenyl)-8-pyrrol-1-ylpyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-(4-methylphenyl)-8-pyrrol-1-ylpyrrolo[1,2-a]quinoxaline is Cc1ccc(-c2nc3ccc(-n4cccc4)cc3n3cccc23)cc1.
What is the InChIKey of 4-(4-methylphenyl)-8-pyrrol-1-ylpyrrolo[1,2-a]quinoxaline?
The InChIKey is JDGJEPCZRJKFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c1-16-6-8-17(9-7-16)22-20-5-4-14-25(20)21-15-18(10-11-19(21)23-22)24-12-2-3-13-24/h2-15H,1H3.
What are the key properties of 4-(4-methylphenyl)-8-pyrrol-1-ylpyrrolo[1,2-a]quinoxaline?
4-(4-methylphenyl)-8-pyrrol-1-ylpyrrolo[1,2-a]quinoxaline has a molecular weight of 323.40 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-8-pyrrol-1-ylpyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 56925517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).