3,5,7-trimethylpyrido[3,2-b]indole

C14H14N2 — CID 158575400

IUPAC3,5,7-trimethylpyrido[3,2-b]indole
SMILESCc1ccc2c3ncc(C)cc3n(C)c2c1
InChIInChI=1S/C14H14N2/c1-9-4-5-11-12(6-9)16(3)13-7-10(2)8-15-14(11)13/h4-8H,1-3H3
InChIKeyPRSZINDHHQMDSW-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.34
Rot. Bonds

About 3,5,7-trimethylpyrido[3,2-b]indole

3,5,7-trimethylpyrido[3,2-b]indole (PubChem CID 158575400) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3,5,7-trimethylpyrido[3,2-b]indole.

Molecular Properties

Compound Name3,5,7-trimethylpyrido[3,2-b]indole
PubChem CID158575400
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name3,5,7-trimethylpyrido[3,2-b]indole
SMILESCc1ccc2c3ncc(C)cc3n(C)c2c1
InChIInChI=1S/C14H14N2/c1-9-4-5-11-12(6-9)16(3)13-7-10(2)8-15-14(11)13/h4-8H,1-3H3
InChIKeyPRSZINDHHQMDSW-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

3-chloro-7,9-dimethylpyrido[3,4-b]indole
CID 115038034
1,7,9-trimethylpyrido[3,4-b]indole
CID 163765434
2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium
CID 160772488
5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one
CID 162683751
(1,6-dimethylindol-3-yl)-trimethylsilane
CID 177474758
3,8-dimethyl-1,10-phenanthroline
CID 159392628
5,17-dimethyl-14-(4-methylphenyl)-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 155039973
5-methoxy-2,9-dimethylcarbazole
CID 86239473
2-(1,2,6-trimethylindol-3-yl)acetic acid
CID 82493301
2-isocyano-6,9-dimethylcarbazole
CID 158421593
3-bromo-2-ethyl-1,6-dimethylindole
CID 84707620
9-butyl-2,7-dimethylcarbazole
CID 129212268

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethylpyrido[3,2-b]indole?
The IUPAC name of 3,5,7-trimethylpyrido[3,2-b]indole (CID 158575400) is 3,5,7-trimethylpyrido[3,2-b]indole.
What is the SMILES notation for 3,5,7-trimethylpyrido[3,2-b]indole?
The canonical SMILES for 3,5,7-trimethylpyrido[3,2-b]indole is Cc1ccc2c3ncc(C)cc3n(C)c2c1.
What is the InChIKey of 3,5,7-trimethylpyrido[3,2-b]indole?
The InChIKey is PRSZINDHHQMDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-9-4-5-11-12(6-9)16(3)13-7-10(2)8-15-14(11)13/h4-8H,1-3H3.
What are the key properties of 3,5,7-trimethylpyrido[3,2-b]indole?
3,5,7-trimethylpyrido[3,2-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 3,5,7-trimethylpyrido[3,2-b]indole is sourced from PubChem (CID 158575400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).