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

C16H13IN2 — CID 10570484

IUPAC5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide
SMILESC[n+]1c2ccccc2cc2[nH]c3ccccc3c21.[I-]
InChIInChI=1S/C16H12N2.HI/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14;/h2-10H,1H3;1H
InChIKeyJPONSZNIDBPEJA-UHFFFAOYSA-N
MW360.20 g/mol
LogP0.30
Rot. Bonds

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

5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide (PubChem CID 10570484) has the molecular formula C16H13IN2 and a molecular weight of 360.20 g/mol. Its IUPAC name is 5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide.

Molecular Properties

Compound Name5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide
PubChem CID10570484
Molecular FormulaC16H13IN2
Molecular Weight360.20 g/mol
Exact Mass360.01
IUPAC Name5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide
SMILESC[n+]1c2ccccc2cc2[nH]c3ccccc3c21.[I-]
InChIInChI=1S/C16H12N2.HI/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14;/h2-10H,1H3;1H
InChIKeyJPONSZNIDBPEJA-UHFFFAOYSA-N
XLogP0.30
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 50.30
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-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide?
The IUPAC name of 5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide (CID 10570484) is 5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide.
What is the SMILES notation for 5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide?
The canonical SMILES for 5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide is C[n+]1c2ccccc2cc2[nH]c3ccccc3c21.[I-].
What is the InChIKey of 5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide?
The InChIKey is JPONSZNIDBPEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2.HI/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14;/h2-10H,1H3;1H.
What are the key properties of 5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide?
5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide has a molecular weight of 360.20 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide is sourced from PubChem (CID 10570484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).