2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

C20H22N2 — CID 21231097

IUPAC2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCc1ccc(C)c2c3c([nH]c12)CCN(Cc1ccccc1)C3
InChIInChI=1S/C20H22N2/c1-14-8-9-15(2)20-19(14)17-13-22(11-10-18(17)21-20)12-16-6-4-3-5-7-16/h3-9,21H,10-13H2,1-2H3
InChIKeyDLVBSJFJBXLIEZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.34
Rot. Bonds2

About 2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 21231097) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID21231097
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCc1ccc(C)c2c3c([nH]c12)CCN(Cc1ccccc1)C3
InChIInChI=1S/C20H22N2/c1-14-8-9-15(2)20-19(14)17-13-22(11-10-18(17)21-20)12-16-6-4-3-5-7-16/h3-9,21H,10-13H2,1-2H3
InChIKeyDLVBSJFJBXLIEZ-UHFFFAOYSA-N
XLogP4.34
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-dibenzyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride
CID 19423339
2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 13216318
6-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
CID 6625233
6-benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one
CID 134914509
2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 65335330
2-benzyl-9-methyl-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole;hydrochloride
CID 155524557
2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine
CID 83851652
6-benzyl-2,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),11,13,15-pentaen-9-one
CID 617507
2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-phenylacetamide
CID 53114067
1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine
CID 139357568
6-benzyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid
CID 15282143
6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 59447643

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 21231097) is 2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is Cc1ccc(C)c2c3c([nH]c12)CCN(Cc1ccccc1)C3.
What is the InChIKey of 2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is DLVBSJFJBXLIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-14-8-9-15(2)20-19(14)17-13-22(11-10-18(17)21-20)12-16-6-4-3-5-7-16/h3-9,21H,10-13H2,1-2H3.
What are the key properties of 2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 290.41 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 21231097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).