2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium

C15H17N2+ — CID 160772488

IUPAC2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium
SMILESCc1ccc2c3cc(C)[n+](C)cc3n(C)c2c1
InChIInChI=1S/C15H17N2/c1-10-5-6-12-13-8-11(2)16(3)9-15(13)17(4)14(12)7-10/h5-9H,1-4H3/q+1
InChIKeyQNODXZNUTSWUNO-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.77
Rot. Bonds

About 2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium

2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium (PubChem CID 160772488) has the molecular formula C15H17N2+ and a molecular weight of 225.31 g/mol. Its IUPAC name is 2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium.

Molecular Properties

Compound Name2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium
PubChem CID160772488
Molecular FormulaC15H17N2+
Molecular Weight225.31 g/mol
Exact Mass225.14
IUPAC Name2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium
SMILESCc1ccc2c3cc(C)[n+](C)cc3n(C)c2c1
InChIInChI=1S/C15H17N2/c1-10-5-6-12-13-8-11(2)16(3)9-15(13)17(4)14(12)7-10/h5-9H,1-4H3/q+1
InChIKeyQNODXZNUTSWUNO-UHFFFAOYSA-N
XLogP2.77
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,7,9-trimethylpyrido[3,4-b]indole
CID 163765434
3-chloro-7,9-dimethylpyrido[3,4-b]indole
CID 115038034
3,5,7-trimethylpyrido[3,2-b]indole
CID 158575400
1,3,5-trimethylbenzimidazol-1-ium
CID 125479666
2-isocyano-6,9-dimethylcarbazole
CID 158421593
9-butyl-2,7-dimethylcarbazole
CID 129212268
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
3-(1,2,6-trimethylindol-3-yl)propan-1-amine
CID 82493187
N-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide
CID 163300073
5-methoxy-2,9-dimethylcarbazole
CID 86239473
2-(1,2,6-trimethylindol-3-yl)acetic acid
CID 82493301
3-bromo-2-ethyl-1,6-dimethylindole
CID 84707620

Frequently Asked Questions

What is the IUPAC name of 2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium?
The IUPAC name of 2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium (CID 160772488) is 2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium.
What is the SMILES notation for 2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium?
The canonical SMILES for 2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium is Cc1ccc2c3cc(C)[n+](C)cc3n(C)c2c1.
What is the InChIKey of 2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium?
The InChIKey is QNODXZNUTSWUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N2/c1-10-5-6-12-13-8-11(2)16(3)9-15(13)17(4)14(12)7-10/h5-9H,1-4H3/q+1.
What are the key properties of 2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium?
2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium has a molecular weight of 225.31 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium is sourced from PubChem (CID 160772488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).