2-benzyl-1-methyl-7-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

C22H26N2 — CID 122679538

IUPAC2-benzyl-1-methyl-7-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCCCc1ccc2c3c([nH]c2c1)C(C)N(Cc1ccccc1)CC3
InChIInChI=1S/C22H26N2/c1-3-7-17-10-11-19-20-12-13-24(15-18-8-5-4-6-9-18)16(2)22(20)23-21(19)14-17/h4-6,8-11,14,16,23H,3,7,12-13,15H2,1-2H3
InChIKeyLEMAPWGLTJSNGF-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.24
Rot. Bonds4

About 2-benzyl-1-methyl-7-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

2-benzyl-1-methyl-7-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 122679538) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-benzyl-1-methyl-7-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name2-benzyl-1-methyl-7-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID122679538
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name2-benzyl-1-methyl-7-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCCCc1ccc2c3c([nH]c2c1)C(C)N(Cc1ccccc1)CC3
InChIInChI=1S/C22H26N2/c1-3-7-17-10-11-19-20-12-13-24(15-18-8-5-4-6-9-18)16(2)22(20)23-21(19)14-17/h4-6,8-11,14,16,23H,3,7,12-13,15H2,1-2H3
InChIKeyLEMAPWGLTJSNGF-UHFFFAOYSA-N
XLogP5.24
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-benzyl-1-methyl-7-propyl-1,3,4,9-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

Related Compounds

2-benzyl-1-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 101495867
2-benzyl-1-(2-phenylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 102237020
2-(2-benzyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetic acid
CID 68562428
1-methyl-2-(2-methylsulfonylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 47287679
2-dodecyl-9H-carbazole
CID 21248548
(3S)-4-benzyl-3-methylpiperazin-2-one
CID 129362839
1-[(1R)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one
CID 94208009
2-benzyl-1-[2-(2,4,10-trioxatricyclo[3.3.1.13,7]decan-3-yl)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 11102063
1-benzyl-7-methyl-1,4-diazepane
CID 56828058
1-benzyl-2-ethylpyrrolidin-3-one
CID 83848143
2-benzyl-6-butyl-3,4-dihydro-1H-isoquinoline
CID 15519083
2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine
CID 171523670

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-methyl-7-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 2-benzyl-1-methyl-7-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 122679538) is 2-benzyl-1-methyl-7-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 2-benzyl-1-methyl-7-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 2-benzyl-1-methyl-7-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is CCCc1ccc2c3c([nH]c2c1)C(C)N(Cc1ccccc1)CC3.
What is the InChIKey of 2-benzyl-1-methyl-7-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is LEMAPWGLTJSNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-3-7-17-10-11-19-20-12-13-24(15-18-8-5-4-6-9-18)16(2)22(20)23-21(19)14-17/h4-6,8-11,14,16,23H,3,7,12-13,15H2,1-2H3.
What are the key properties of 2-benzyl-1-methyl-7-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
2-benzyl-1-methyl-7-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 318.46 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-methyl-7-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 122679538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).