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

C16H12ClIN2 — CID 53325746

IUPAC7-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide
SMILESC[n+]1c2ccccc2cc2[nH]c3ccc(Cl)cc3c21.[I-]
InChIInChI=1S/C16H11ClN2.HI/c1-19-15-5-3-2-4-10(15)8-14-16(19)12-9-11(17)6-7-13(12)18-14;/h2-9H,1H3;1H
InChIKeyZDKAWLUYIMHOFM-UHFFFAOYSA-N
MW394.64 g/mol
LogP0.96
Rot. Bonds

About 7-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide

7-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide (PubChem CID 53325746) has the molecular formula C16H12ClIN2 and a molecular weight of 394.64 g/mol. Its IUPAC name is 7-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide.

Molecular Properties

Compound Name7-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide
PubChem CID53325746
Molecular FormulaC16H12ClIN2
Molecular Weight394.64 g/mol
Exact Mass393.97
IUPAC Name7-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide
SMILESC[n+]1c2ccccc2cc2[nH]c3ccc(Cl)cc3c21.[I-]
InChIInChI=1S/C16H11ClN2.HI/c1-19-15-5-3-2-4-10(15)8-14-16(19)12-9-11(17)6-7-13(12)18-14;/h2-9H,1H3;1H
InChIKeyZDKAWLUYIMHOFM-UHFFFAOYSA-N
XLogP0.96
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.64
LogP ≤ 50.96
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'}

Analyze 7-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide with MolForge

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Related Compounds

2,5-dimethyl-10H-indolo[3,2-b]quinolin-5-ium;ethane
CID 177360716
11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride
CID 10519777
3-bromo-2-chloro-1-methylquinolin-1-ium
CID 51051371
5-methyl-6,8-dinitro-10H-indolo[3,2-b]quinolin-5-ium chloride
CID 45266499
hydrogen sulfate;5-methyl-3-nitro-10H-indolo[3,2-b]quinolin-5-ium
CID 10317326
7-chloro-21-methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
CID 123549263
12-chloro-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene;hydrochloride
CID 21142140
5-chloro-2-phenyl-1H-indole-3-carbonitrile
CID 22083583
2,6-dichloro-1-methylquinolin-1-ium
CID 22263312
2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione
CID 14178328
3,6-dinaphthalen-2-yl-9H-carbazole
CID 86019382
5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide
CID 71681954

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide?
The IUPAC name of 7-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide (CID 53325746) is 7-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide.
What is the SMILES notation for 7-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide?
The canonical SMILES for 7-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide is C[n+]1c2ccccc2cc2[nH]c3ccc(Cl)cc3c21.[I-].
What is the InChIKey of 7-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide?
The InChIKey is ZDKAWLUYIMHOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2.HI/c1-19-15-5-3-2-4-10(15)8-14-16(19)12-9-11(17)6-7-13(12)18-14;/h2-9H,1H3;1H.
What are the key properties of 7-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide?
7-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide has a molecular weight of 394.64 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide is sourced from PubChem (CID 53325746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).