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

C13H16N2 — CID 83880773

IUPAC5,9-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCc1cccc2c1c1c(n2C)CCNC1
InChIInChI=1S/C13H16N2/c1-9-4-3-5-12-13(9)10-8-14-7-6-11(10)15(12)2/h3-5,14H,6-8H2,1-2H3
InChIKeyWLUVHZNYKBKICQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.13
Rot. Bonds

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

5,9-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (PubChem CID 83880773) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5,9-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name5,9-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
PubChem CID83880773
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name5,9-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCc1cccc2c1c1c(n2C)CCNC1
InChIInChI=1S/C13H16N2/c1-9-4-3-5-12-13(9)10-8-14-7-6-11(10)15(12)2/h3-5,14H,6-8H2,1-2H3
InChIKeyWLUVHZNYKBKICQ-UHFFFAOYSA-N
XLogP2.13
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 83902348
8-fluoro-9-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 105494350
9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 91006614
9-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 105442254
5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 82492831
6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride
CID 169428435
8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 82492833
4,9-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
CID 66848577
8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 82495192
8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one
CID 66485037
4-[4-(hydroxymethyl)-2-methylphenyl]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one
CID 90292428
2,6-dimethyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole
CID 170405716

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 5,9-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (CID 83880773) is 5,9-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 5,9-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 5,9-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is Cc1cccc2c1c1c(n2C)CCNC1.
What is the InChIKey of 5,9-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The InChIKey is WLUVHZNYKBKICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9-4-3-5-12-13(9)10-8-14-7-6-11(10)15(12)2/h3-5,14H,6-8H2,1-2H3.
What are the key properties of 5,9-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
5,9-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole has a molecular weight of 200.28 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 83880773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).