(2-methylphenyl)-[(1S)-1-(3-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone

C26H24N2O — CID 92502304

About (2-methylphenyl)-[(1S)-1-(3-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone

(2-methylphenyl)-[(1S)-1-(3-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone (PubChem CID 92502304) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is (2-methylphenyl)-[(1S)-1-(3-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone.

Molecular Properties

• Compound Name: (2-methylphenyl)-[(1S)-1-(3-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
• PubChem CID: 92502304
• Molecular Formula: C26H24N2O
• Molecular Weight: 380.49 g/mol
• Exact Mass: 380.19
• IUPAC Name: (2-methylphenyl)-[(1S)-1-(3-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
• SMILES: Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2C)c1
• InChI: InChI=1S/C26H24N2O/c1-17-8-7-10-19(16-17)25-24-22(21-12-5-6-13-23(21)27-24)14-15-28(25)26(29)20-11-4-3-9-18(20)2/h3-13,16,25,27H,14-15H2,1-2H3/t25-/m0/s1
• InChIKey: BVICZSRZTNZFEA-VWLOTQADSA-N
• XLogP: 5.57
• TPSA: 36.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.49
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[(1S)-1-(3-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone?

The IUPAC name of (2-methylphenyl)-[(1S)-1-(3-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone (CID 92502304) is (2-methylphenyl)-[(1S)-1-(3-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone.

What is the SMILES notation for (2-methylphenyl)-[(1S)-1-(3-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone?

The canonical SMILES for (2-methylphenyl)-[(1S)-1-(3-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone is Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2C)c1.

What is the InChIKey of (2-methylphenyl)-[(1S)-1-(3-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone?

The InChIKey is BVICZSRZTNZFEA-VWLOTQADSA-N. The full InChI is InChI=1S/C26H24N2O/c1-17-8-7-10-19(16-17)25-24-22(21-12-5-6-13-23(21)27-24)14-15-28(25)26(29)20-11-4-3-9-18(20)2/h3-13,16,25,27H,14-15H2,1-2H3/t25-/m0/s1.

What are the key properties of (2-methylphenyl)-[(1S)-1-(3-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone?

(2-methylphenyl)-[(1S)-1-(3-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone has a molecular weight of 380.49 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methylphenyl)-[(1S)-1-(3-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone is sourced from PubChem (CID 92502304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).