2-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]benzamide

C26H21N3O2 — CID 15340668

IUPAC2-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3-c3ccccc32)cc1
InChIInChI=1S/C26H21N3O2/c1-18-7-2-3-9-22(18)25(30)27-20-14-12-19(13-15-20)26(31)29-17-21-8-6-16-28(21)23-10-4-5-11-24(23)29/h2-16H,17H2,1H3,(H,27,30)
InChIKeyROEZAMGLCIOQIZ-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.20
Rot. Bonds3

About 2-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]benzamide

2-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]benzamide (PubChem CID 15340668) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]benzamide
PubChem CID15340668
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Name2-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3-c3ccccc32)cc1
InChIInChI=1S/C26H21N3O2/c1-18-7-2-3-9-22(18)25(30)27-20-14-12-19(13-15-20)26(31)29-17-21-8-6-16-28(21)23-10-4-5-11-24(23)29/h2-16H,17H2,1H3,(H,27,30)
InChIKeyROEZAMGLCIOQIZ-UHFFFAOYSA-N
XLogP5.20
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]benzamide (CID 15340668) is 2-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3-c3ccccc32)cc1.
What is the InChIKey of 2-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]benzamide?
The InChIKey is ROEZAMGLCIOQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c1-18-7-2-3-9-22(18)25(30)27-20-14-12-19(13-15-20)26(31)29-17-21-8-6-16-28(21)23-10-4-5-11-24(23)29/h2-16H,17H2,1H3,(H,27,30).
What are the key properties of 2-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]benzamide?
2-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]benzamide has a molecular weight of 407.47 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]benzamide is sourced from PubChem (CID 15340668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).