5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide

C17H15IN2 — CID 71681954

IUPAC5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide
SMILESCc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12.[I-]
InChIInChI=1S/C17H14N2.HI/c1-11-12-7-4-6-10-15(12)19(2)17-13-8-3-5-9-14(13)18-16(11)17;/h3-10H,1-2H3;1H
InChIKeyJFRGBVZQGNMWDT-UHFFFAOYSA-N
MW374.23 g/mol
LogP0.61
Rot. Bonds

About 5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide

5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide (PubChem CID 71681954) has the molecular formula C17H15IN2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide.

Molecular Properties

Compound Name5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide
PubChem CID71681954
Molecular FormulaC17H15IN2
Molecular Weight374.23 g/mol
Exact Mass374.03
IUPAC Name5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide
SMILESCc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12.[I-]
InChIInChI=1S/C17H14N2.HI/c1-11-12-7-4-6-10-15(12)19(2)17-13-8-3-5-9-14(13)18-16(11)17;/h3-10H,1-2H3;1H
InChIKeyJFRGBVZQGNMWDT-UHFFFAOYSA-N
XLogP0.61
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine
CID 67597321
2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium
CID 10649164
N',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine
CID 25132222
11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride
CID 10519777
1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium
CID 11199472
5-methyl-N-(3-morpholin-4-ylpropyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine
CID 25132228
2,5-dimethyl-10H-indolo[3,2-b]quinolin-5-ium;ethane
CID 177360716
7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid
CID 44581611
11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride
CID 67598449
3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 102175677
2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide
CID 161443483
azane;1,2-dimethyl-9H-carbazole
CID 174760951

Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide?
The IUPAC name of 5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide (CID 71681954) is 5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide.
What is the SMILES notation for 5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide?
The canonical SMILES for 5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide is Cc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12.[I-].
What is the InChIKey of 5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide?
The InChIKey is JFRGBVZQGNMWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2.HI/c1-11-12-7-4-6-10-15(12)19(2)17-13-8-3-5-9-14(13)18-16(11)17;/h3-10H,1-2H3;1H.
What are the key properties of 5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide?
5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide has a molecular weight of 374.23 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide is sourced from PubChem (CID 71681954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).