1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone

C21H18N2O — CID 135060121

IUPAC1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone
SMILESCc1cc(C(=O)Cc2ccccc2)nc2c1c1ccccc1n2C
InChIInChI=1S/C21H18N2O/c1-14-12-17(19(24)13-15-8-4-3-5-9-15)22-21-20(14)16-10-6-7-11-18(16)23(21)2/h3-12H,13H2,1-2H3
InChIKeyQJSNUAROMOJGJZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.46
Rot. Bonds3

About 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone

1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone (PubChem CID 135060121) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone
PubChem CID135060121
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone
SMILESCc1cc(C(=O)Cc2ccccc2)nc2c1c1ccccc1n2C
InChIInChI=1S/C21H18N2O/c1-14-12-17(19(24)13-15-8-4-3-5-9-15)22-21-20(14)16-10-6-7-11-18(16)23(21)2/h3-12H,13H2,1-2H3
InChIKeyQJSNUAROMOJGJZ-UHFFFAOYSA-N
XLogP4.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone 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 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone?
The IUPAC name of 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone (CID 135060121) is 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone.
What is the SMILES notation for 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone?
The canonical SMILES for 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone is Cc1cc(C(=O)Cc2ccccc2)nc2c1c1ccccc1n2C.
What is the InChIKey of 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone?
The InChIKey is QJSNUAROMOJGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-14-12-17(19(24)13-15-8-4-3-5-9-15)22-21-20(14)16-10-6-7-11-18(16)23(21)2/h3-12H,13H2,1-2H3.
What are the key properties of 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone?
1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone has a molecular weight of 314.39 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone is sourced from PubChem (CID 135060121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).