5-methyl-7H-indolo[2,3-c]quinolin-5-ium chloride

C16H13ClN2 — CID 11673416

IUPAC5-methyl-7H-indolo[2,3-c]quinolin-5-ium chloride
SMILESC[n+]1cc2[nH]c3ccccc3c2c2ccccc21.[Cl-]
InChIInChI=1S/C16H12N2.ClH/c1-18-10-14-16(12-7-3-5-9-15(12)18)11-6-2-4-8-13(11)17-14;/h2-10H,1H3;1H
InChIKeyJATZPRAJAWVOQA-UHFFFAOYSA-N
MW268.75 g/mol
LogP0.30
Rot. Bonds

About 5-methyl-7H-indolo[2,3-c]quinolin-5-ium chloride

5-methyl-7H-indolo[2,3-c]quinolin-5-ium chloride (PubChem CID 11673416) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 5-methyl-7H-indolo[2,3-c]quinolin-5-ium chloride.

Molecular Properties

Compound Name5-methyl-7H-indolo[2,3-c]quinolin-5-ium chloride
PubChem CID11673416
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name5-methyl-7H-indolo[2,3-c]quinolin-5-ium chloride
SMILESC[n+]1cc2[nH]c3ccccc3c2c2ccccc21.[Cl-]
InChIInChI=1S/C16H12N2.ClH/c1-18-10-14-16(12-7-3-5-9-15(12)18)11-6-2-4-8-13(11)17-14;/h2-10H,1H3;1H
InChIKeyJATZPRAJAWVOQA-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 ≤ 500268.75
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7H-indolo[2,3-c]quinolin-5-ium chloride?
The IUPAC name of 5-methyl-7H-indolo[2,3-c]quinolin-5-ium chloride (CID 11673416) is 5-methyl-7H-indolo[2,3-c]quinolin-5-ium chloride.
What is the SMILES notation for 5-methyl-7H-indolo[2,3-c]quinolin-5-ium chloride?
The canonical SMILES for 5-methyl-7H-indolo[2,3-c]quinolin-5-ium chloride is C[n+]1cc2[nH]c3ccccc3c2c2ccccc21.[Cl-].
What is the InChIKey of 5-methyl-7H-indolo[2,3-c]quinolin-5-ium chloride?
The InChIKey is JATZPRAJAWVOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2.ClH/c1-18-10-14-16(12-7-3-5-9-15(12)18)11-6-2-4-8-13(11)17-14;/h2-10H,1H3;1H.
What are the key properties of 5-methyl-7H-indolo[2,3-c]quinolin-5-ium chloride?
5-methyl-7H-indolo[2,3-c]quinolin-5-ium chloride has a molecular weight of 268.75 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-7H-indolo[2,3-c]quinolin-5-ium chloride is sourced from PubChem (CID 11673416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).