5,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium iodide

C18H17IN2 — CID 10000306

IUPAC5,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium iodide
SMILESCc1cc2[nH]c3c(c[n+](C)c4ccccc34)c2cc1C.[I-]
InChIInChI=1S/C18H16N2.HI/c1-11-8-14-15-10-20(3)17-7-5-4-6-13(17)18(15)19-16(14)9-12(11)2;/h4-10H,1-3H3;1H
InChIKeyXOPOYECQYINKEO-UHFFFAOYSA-N
MW388.25 g/mol
LogP0.92
Rot. Bonds

About 5,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium iodide

5,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium iodide (PubChem CID 10000306) has the molecular formula C18H17IN2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 5,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium iodide.

Molecular Properties

Compound Name5,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium iodide
PubChem CID10000306
Molecular FormulaC18H17IN2
Molecular Weight388.25 g/mol
Exact Mass388.04
IUPAC Name5,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium iodide
SMILESCc1cc2[nH]c3c(c[n+](C)c4ccccc34)c2cc1C.[I-]
InChIInChI=1S/C18H16N2.HI/c1-11-8-14-15-10-20(3)17-7-5-4-6-13(17)18(15)19-16(14)9-12(11)2;/h4-10H,1-3H3;1H
InChIKeyXOPOYECQYINKEO-UHFFFAOYSA-N
XLogP0.92
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 50.92
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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Frequently Asked Questions

What is the IUPAC name of 5,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium iodide?
The IUPAC name of 5,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium iodide (CID 10000306) is 5,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium iodide.
What is the SMILES notation for 5,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium iodide?
The canonical SMILES for 5,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium iodide is Cc1cc2[nH]c3c(c[n+](C)c4ccccc34)c2cc1C.[I-].
What is the InChIKey of 5,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium iodide?
The InChIKey is XOPOYECQYINKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2.HI/c1-11-8-14-15-10-20(3)17-7-5-4-6-13(17)18(15)19-16(14)9-12(11)2;/h4-10H,1-3H3;1H.
What are the key properties of 5,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium iodide?
5,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium iodide has a molecular weight of 388.25 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium iodide is sourced from PubChem (CID 10000306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).