4-methyl-N,1-diphenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-imine

C23H22N4 — CID 589254

IUPAC4-methyl-N,1-diphenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-imine
SMILESCN1c2ccccc2NC2C1C/C(=N\c1ccccc1)N2c1ccccc1
InChIInChI=1S/C23H22N4/c1-26-20-15-9-8-14-19(20)25-23-21(26)16-22(24-17-10-4-2-5-11-17)27(23)18-12-6-3-7-13-18/h2-15,21,23,25H,16H2,1H3/b24-22+
InChIKeyOROGWLQVAZPOBJ-ZNTNEXAZSA-N
MW354.46 g/mol
LogP4.88
Rot. Bonds2

About 4-methyl-N,1-diphenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-imine

4-methyl-N,1-diphenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-imine (PubChem CID 589254) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-methyl-N,1-diphenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-imine.

Molecular Properties

Compound Name4-methyl-N,1-diphenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-imine
PubChem CID589254
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name4-methyl-N,1-diphenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-imine
SMILESCN1c2ccccc2NC2C1C/C(=N\c1ccccc1)N2c1ccccc1
InChIInChI=1S/C23H22N4/c1-26-20-15-9-8-14-19(20)25-23-21(26)16-22(24-17-10-4-2-5-11-17)27(23)18-12-6-3-7-13-18/h2-15,21,23,25H,16H2,1H3/b24-22+
InChIKeyOROGWLQVAZPOBJ-ZNTNEXAZSA-N
XLogP4.88
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,1-diphenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-imine?
The IUPAC name of 4-methyl-N,1-diphenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-imine (CID 589254) is 4-methyl-N,1-diphenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-imine.
What is the SMILES notation for 4-methyl-N,1-diphenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-imine?
The canonical SMILES for 4-methyl-N,1-diphenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-imine is CN1c2ccccc2NC2C1C/C(=N\c1ccccc1)N2c1ccccc1.
What is the InChIKey of 4-methyl-N,1-diphenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-imine?
The InChIKey is OROGWLQVAZPOBJ-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H22N4/c1-26-20-15-9-8-14-19(20)25-23-21(26)16-22(24-17-10-4-2-5-11-17)27(23)18-12-6-3-7-13-18/h2-15,21,23,25H,16H2,1H3/b24-22+.
What are the key properties of 4-methyl-N,1-diphenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-imine?
4-methyl-N,1-diphenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-imine has a molecular weight of 354.46 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,1-diphenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-imine is sourced from PubChem (CID 589254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).