2-chloro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride

C16H11Cl2N3O2 — CID 46877419

IUPAC2-chloro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride
SMILESCl.Cn1c2c3cccc([N+](=O)[O-])c3nc-2cc2cc(Cl)ccc21
InChIInChI=1S/C16H10ClN3O2.ClH/c1-19-13-6-5-10(17)7-9(13)8-12-16(19)11-3-2-4-14(20(21)22)15(11)18-12;/h2-8H,1H3;1H
InChIKeyXUBASELICLQTKP-UHFFFAOYSA-N
MW348.19 g/mol
LogP4.81
Rot. Bonds1

About 2-chloro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride

2-chloro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride (PubChem CID 46877419) has the molecular formula C16H11Cl2N3O2 and a molecular weight of 348.19 g/mol. Its IUPAC name is 2-chloro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride
PubChem CID46877419
Molecular FormulaC16H11Cl2N3O2
Molecular Weight348.19 g/mol
Exact Mass347.02
IUPAC Name2-chloro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride
SMILESCl.Cn1c2c3cccc([N+](=O)[O-])c3nc-2cc2cc(Cl)ccc21
InChIInChI=1S/C16H10ClN3O2.ClH/c1-19-13-6-5-10(17)7-9(13)8-12-16(19)11-3-2-4-14(20(21)22)15(11)18-12;/h2-8H,1H3;1H
InChIKeyXUBASELICLQTKP-UHFFFAOYSA-N
XLogP4.81
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-bromo-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride
CID 46877427
2,4-dimethyl-8-nitroquinoline
CID 608736
2-chloro-1,4-dimethyl-5-nitrobenzimidazole
CID 168827001
2-chloro-3-methyl-8-nitroquinoline
CID 86241531
(3-chlorophenyl)-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]methanone
CID 133436520
4-(6-chloro-1-methylbenzimidazol-2-yl)-2-nitroaniline
CID 115472501
3-methyl-5-nitro-2-thiophen-2-ylbenzo[e]benzimidazole
CID 15496245
ethane;3-methyl-7-nitro-2H-indazole
CID 143766965
5-chloro-2-[2-(4-methylphenyl)ethynyl]-1-(2-nitrophenyl)indole
CID 162405953
4-chloro-2-(3,5-difluoro-4-pyridinyl)-1-methyl-5-nitrobenzimidazole
CID 139581569
2-(2,4-dichlorophenyl)-4-nitroquinoline
CID 101421541
3-bromo-2-methyl-7-nitroindazole
CID 12558578

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride?
The IUPAC name of 2-chloro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride (CID 46877419) is 2-chloro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride.
What is the SMILES notation for 2-chloro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride?
The canonical SMILES for 2-chloro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride is Cl.Cn1c2c3cccc([N+](=O)[O-])c3nc-2cc2cc(Cl)ccc21.
What is the InChIKey of 2-chloro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride?
The InChIKey is XUBASELICLQTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O2.ClH/c1-19-13-6-5-10(17)7-9(13)8-12-16(19)11-3-2-4-14(20(21)22)15(11)18-12;/h2-8H,1H3;1H.
What are the key properties of 2-chloro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride?
2-chloro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride has a molecular weight of 348.19 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride is sourced from PubChem (CID 46877419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).