1,7,9-trimethylpyrido[3,4-b]indole

C14H14N2 — CID 163765434

IUPAC1,7,9-trimethylpyrido[3,4-b]indole
SMILESCc1ccc2c3ccnc(C)c3n(C)c2c1
InChIInChI=1S/C14H14N2/c1-9-4-5-11-12-6-7-15-10(2)14(12)16(3)13(11)8-9/h4-8H,1-3H3
InChIKeyMBVWZXLUCZPKSZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.34
Rot. Bonds

About 1,7,9-trimethylpyrido[3,4-b]indole

1,7,9-trimethylpyrido[3,4-b]indole (PubChem CID 163765434) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,7,9-trimethylpyrido[3,4-b]indole.

Molecular Properties

Compound Name1,7,9-trimethylpyrido[3,4-b]indole
PubChem CID163765434
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name1,7,9-trimethylpyrido[3,4-b]indole
SMILESCc1ccc2c3ccnc(C)c3n(C)c2c1
InChIInChI=1S/C14H14N2/c1-9-4-5-11-12-6-7-15-10(2)14(12)16(3)13(11)8-9/h4-8H,1-3H3
InChIKeyMBVWZXLUCZPKSZ-UHFFFAOYSA-N
XLogP3.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,7-dimethyl-9-prop-2-ynylpyrido[3,4-b]indole
CID 158761716
1,8,9-trimethylpyrido[3,4-b]indole
CID 139321936
8-chloro-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one
CID 134324128
1,6-dimethylisoquinoline;ethane
CID 156751069
5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one
CID 162683751
7,9-dimethyl-1-phenylcarbazole
CID 118392012
3-chloro-7,9-dimethylpyrido[3,4-b]indole
CID 115038034
2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium
CID 160772488
3,5,7-trimethylpyrido[3,2-b]indole
CID 158575400
7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole
CID 71539519
1,9-dimethyl-N-(2-phenylethyl)pyrido[3,4-b]indol-6-amine
CID 175189411
1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole
CID 71539374

Frequently Asked Questions

What is the IUPAC name of 1,7,9-trimethylpyrido[3,4-b]indole?
The IUPAC name of 1,7,9-trimethylpyrido[3,4-b]indole (CID 163765434) is 1,7,9-trimethylpyrido[3,4-b]indole.
What is the SMILES notation for 1,7,9-trimethylpyrido[3,4-b]indole?
The canonical SMILES for 1,7,9-trimethylpyrido[3,4-b]indole is Cc1ccc2c3ccnc(C)c3n(C)c2c1.
What is the InChIKey of 1,7,9-trimethylpyrido[3,4-b]indole?
The InChIKey is MBVWZXLUCZPKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-9-4-5-11-12-6-7-15-10(2)14(12)16(3)13(11)8-9/h4-8H,1-3H3.
What are the key properties of 1,7,9-trimethylpyrido[3,4-b]indole?
1,7,9-trimethylpyrido[3,4-b]indole has a molecular weight of 210.28 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,9-trimethylpyrido[3,4-b]indole is sourced from PubChem (CID 163765434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).