3-methyl-9-phenylpyrido[2,3-b]indole

C18H14N2 — CID 140770387

IUPAC3-methyl-9-phenylpyrido[2,3-b]indole
SMILESCc1cnc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C18H14N2/c1-13-11-16-15-9-5-6-10-17(15)20(18(16)19-12-13)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyZVRNCLWPCSTYEP-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.49
Rot. Bonds1

About 3-methyl-9-phenylpyrido[2,3-b]indole

3-methyl-9-phenylpyrido[2,3-b]indole (PubChem CID 140770387) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-methyl-9-phenylpyrido[2,3-b]indole.

Molecular Properties

Compound Name3-methyl-9-phenylpyrido[2,3-b]indole
PubChem CID140770387
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name3-methyl-9-phenylpyrido[2,3-b]indole
SMILESCc1cnc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C18H14N2/c1-13-11-16-15-9-5-6-10-17(15)20(18(16)19-12-13)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyZVRNCLWPCSTYEP-UHFFFAOYSA-N
XLogP4.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-9-phenylpyrido[2,3-b]indole 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 3-methyl-9-phenylpyrido[2,3-b]indole?
The IUPAC name of 3-methyl-9-phenylpyrido[2,3-b]indole (CID 140770387) is 3-methyl-9-phenylpyrido[2,3-b]indole.
What is the SMILES notation for 3-methyl-9-phenylpyrido[2,3-b]indole?
The canonical SMILES for 3-methyl-9-phenylpyrido[2,3-b]indole is Cc1cnc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3-methyl-9-phenylpyrido[2,3-b]indole?
The InChIKey is ZVRNCLWPCSTYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-13-11-16-15-9-5-6-10-17(15)20(18(16)19-12-13)14-7-3-2-4-8-14/h2-12H,1H3.
What are the key properties of 3-methyl-9-phenylpyrido[2,3-b]indole?
3-methyl-9-phenylpyrido[2,3-b]indole has a molecular weight of 258.32 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-phenylpyrido[2,3-b]indole is sourced from PubChem (CID 140770387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).