trimethyl(3-pyrido[4,3-b]indol-2-ylpropyl)azanium

C17H22N3+ — CID 138400456

IUPACtrimethyl(3-pyrido[4,3-b]indol-2-ylpropyl)azanium
SMILESC[N+](C)(C)CCCn1ccc2nc3ccccc3c-2c1
InChIInChI=1S/C17H22N3/c1-20(2,3)12-6-10-19-11-9-17-15(13-19)14-7-4-5-8-16(14)18-17/h4-5,7-9,11,13H,6,10,12H2,1-3H3/q+1
InChIKeyPVJMPAJZIXHMBO-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.24
Rot. Bonds4

About trimethyl(3-pyrido[4,3-b]indol-2-ylpropyl)azanium

trimethyl(3-pyrido[4,3-b]indol-2-ylpropyl)azanium (PubChem CID 138400456) has the molecular formula C17H22N3+ and a molecular weight of 268.38 g/mol. Its IUPAC name is trimethyl(3-pyrido[4,3-b]indol-2-ylpropyl)azanium.

Molecular Properties

Compound Nametrimethyl(3-pyrido[4,3-b]indol-2-ylpropyl)azanium
PubChem CID138400456
Molecular FormulaC17H22N3+
Molecular Weight268.38 g/mol
Exact Mass268.18
IUPAC Nametrimethyl(3-pyrido[4,3-b]indol-2-ylpropyl)azanium
SMILESC[N+](C)(C)CCCn1ccc2nc3ccccc3c-2c1
InChIInChI=1S/C17H22N3/c1-20(2,3)12-6-10-19-11-9-17-15(13-19)14-7-4-5-8-16(14)18-17/h4-5,7-9,11,13H,6,10,12H2,1-3H3/q+1
InChIKeyPVJMPAJZIXHMBO-UHFFFAOYSA-N
XLogP3.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-pyrido[4,3-b]indol-2-ylbutanoic acid
CID 68594412
trimethyl-[3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propyl]azanium
CID 57331409
3-(1,3-dioxoisoindol-2-yl)propyl-trimethylazanium
CID 19927294
2-(1-ethylpyrrol-3-yl)-3-methylquinazolin-4-one
CID 174456036
1-methyl-2-[6-(1-methylpyrido[3,4-b]indol-2-yl)hexyl]pyrido[3,4-b]indole;dihydrobromide
CID 138400614
tert-butyl pyrido[3,4-b]indole-2-carboxylate
CID 143173317
[2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol
CID 66509490
2,5-bis(4-phenylnaphthalen-1-yl)quinoline
CID 163839918
4-phenyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-2-amine
CID 133325348
1-ethenylpyrido[3,2-b]indole
CID 69234589
2,4-bis(4-phenylnaphthalen-1-yl)quinoline
CID 146334508
10-methyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene
CID 11096228

Frequently Asked Questions

What is the IUPAC name of trimethyl(3-pyrido[4,3-b]indol-2-ylpropyl)azanium?
The IUPAC name of trimethyl(3-pyrido[4,3-b]indol-2-ylpropyl)azanium (CID 138400456) is trimethyl(3-pyrido[4,3-b]indol-2-ylpropyl)azanium.
What is the SMILES notation for trimethyl(3-pyrido[4,3-b]indol-2-ylpropyl)azanium?
The canonical SMILES for trimethyl(3-pyrido[4,3-b]indol-2-ylpropyl)azanium is C[N+](C)(C)CCCn1ccc2nc3ccccc3c-2c1.
What is the InChIKey of trimethyl(3-pyrido[4,3-b]indol-2-ylpropyl)azanium?
The InChIKey is PVJMPAJZIXHMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N3/c1-20(2,3)12-6-10-19-11-9-17-15(13-19)14-7-4-5-8-16(14)18-17/h4-5,7-9,11,13H,6,10,12H2,1-3H3/q+1.
What are the key properties of trimethyl(3-pyrido[4,3-b]indol-2-ylpropyl)azanium?
trimethyl(3-pyrido[4,3-b]indol-2-ylpropyl)azanium has a molecular weight of 268.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(3-pyrido[4,3-b]indol-2-ylpropyl)azanium is sourced from PubChem (CID 138400456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).