2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

C19H20N2 — CID 13216318

IUPAC2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCc1ccc2c3c([nH]c2c1)CCN(Cc1ccccc1)C3
InChIInChI=1S/C19H20N2/c1-14-7-8-16-17-13-21(12-15-5-3-2-4-6-15)10-9-18(17)20-19(16)11-14/h2-8,11,20H,9-10,12-13H2,1H3
InChIKeyZXOCXPUMDWJQQL-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.03
Rot. Bonds2

About 2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 13216318) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID13216318
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCc1ccc2c3c([nH]c2c1)CCN(Cc1ccccc1)C3
InChIInChI=1S/C19H20N2/c1-14-7-8-16-17-13-21(12-15-5-3-2-4-6-15)10-9-18(17)20-19(16)11-14/h2-8,11,20H,9-10,12-13H2,1H3
InChIKeyZXOCXPUMDWJQQL-UHFFFAOYSA-N
XLogP4.03
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-9-methyl-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole;hydrochloride
CID 155524557
2,7-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 687265
2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 21231097
2-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 117014262
2-[(3-methoxyphenyl)methyl]-8-methyl-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one
CID 46385152
2-(2-methylphenyl)-1-(7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 113089586
2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
CID 121370928
2-benzyl-8-fluoro-1,3,4,10-tetrahydrobenzo[b][1,7]naphthyridin-5-one
CID 10495009
(3-methylphenyl)-(7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 113089543
6-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
CID 6625233
8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 68763051
3,6-dibenzyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride
CID 19423339

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 13216318) is 2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is Cc1ccc2c3c([nH]c2c1)CCN(Cc1ccccc1)C3.
What is the InChIKey of 2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is ZXOCXPUMDWJQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-14-7-8-16-17-13-21(12-15-5-3-2-4-6-15)10-9-18(17)20-19(16)11-14/h2-8,11,20H,9-10,12-13H2,1H3.
What are the key properties of 2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 276.38 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 13216318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).