9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

C19H20N2 — CID 91006614

IUPAC9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCc1cccc2c1c1c(n2Cc2ccccc2)CNCC1
InChIInChI=1S/C19H20N2/c1-14-6-5-9-17-19(14)16-10-11-20-12-18(16)21(17)13-15-7-3-2-4-8-15/h2-9,20H,10-13H2,1H3
InChIKeyFWOOSXBWPAENHZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.64
Rot. Bonds2

About 9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (PubChem CID 91006614) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
PubChem CID91006614
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCc1cccc2c1c1c(n2Cc2ccccc2)CNCC1
InChIInChI=1S/C19H20N2/c1-14-6-5-9-17-19(14)16-10-11-20-12-18(16)21(17)13-15-7-3-2-4-8-15/h2-9,20H,10-13H2,1H3
InChIKeyFWOOSXBWPAENHZ-UHFFFAOYSA-N
XLogP3.64
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-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 9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (CID 91006614) is 9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is Cc1cccc2c1c1c(n2Cc2ccccc2)CNCC1.
What is the InChIKey of 9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The InChIKey is FWOOSXBWPAENHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-14-6-5-9-17-19(14)16-10-11-20-12-18(16)21(17)13-15-7-3-2-4-8-15/h2-9,20H,10-13H2,1H3.
What are the key properties of 9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole has a molecular weight of 276.38 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 91006614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).