5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C19H20N2 — CID 22530

IUPAC5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3ccccc3n2Cc2ccccc2)C1
InChIInChI=1S/C19H20N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyFQQIIPAOSKSOJM-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.68
Rot. Bonds2

About 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 22530) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID22530
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3ccccc3n2Cc2ccccc2)C1
InChIInChI=1S/C19H20N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyFQQIIPAOSKSOJM-UHFFFAOYSA-N
XLogP3.68
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyrvinium
CID 5281035
Acridine Orange Base
CID 62344
Tetrahydro-beta-carboline
CID 107838
Iprindole
CID 21722
Latrepirdine
CID 197033
3-Amino-9-ethylcarbazole
CID 8588
Rimcazole
CID 53389
LE-300
CID 4350931
Pirlindole
CID 68802
2-Methyl-1,2,3,4-tetrahydro-beta-carboline
CID 121896
4,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indole
CID 160510
Cryptolepine
CID 82143

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 22530) is 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1.
What is the InChIKey of 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is FQQIIPAOSKSOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3.
What are the key properties of 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 276.38 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 22530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).