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

C16H11BrClN3O2 — CID 46877427

IUPAC7-bromo-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride
SMILESCl.Cn1c2c3cc(Br)cc([N+](=O)[O-])c3nc-2cc2ccccc21
InChIInChI=1S/C16H10BrN3O2.ClH/c1-19-13-5-3-2-4-9(13)6-12-16(19)11-7-10(17)8-14(20(21)22)15(11)18-12;/h2-8H,1H3;1H
InChIKeyJGKMDXNNJFNPRI-UHFFFAOYSA-N
MW392.64 g/mol
LogP4.92
Rot. Bonds1

About 7-bromo-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride

7-bromo-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride (PubChem CID 46877427) has the molecular formula C16H11BrClN3O2 and a molecular weight of 392.64 g/mol. Its IUPAC name is 7-bromo-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride.

Molecular Properties

Compound Name7-bromo-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride
PubChem CID46877427
Molecular FormulaC16H11BrClN3O2
Molecular Weight392.64 g/mol
Exact Mass390.97
IUPAC Name7-bromo-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride
SMILESCl.Cn1c2c3cc(Br)cc([N+](=O)[O-])c3nc-2cc2ccccc21
InChIInChI=1S/C16H10BrN3O2.ClH/c1-19-13-5-3-2-4-9(13)6-12-16(19)11-7-10(17)8-14(20(21)22)15(11)18-12;/h2-8H,1H3;1H
InChIKeyJGKMDXNNJFNPRI-UHFFFAOYSA-N
XLogP4.92
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.64
LogP ≤ 54.92
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

2-chloro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride
CID 46877419
3-bromo-1-nitronaphthalene
CID 826291
2,7-dibromo-5-methylindolo[3,2-b]quinoline
CID 10023257
N-(5-methylindolo[3,2-b]quinolin-7-yl)acetamide
CID 15907594
5-bromo-3-fluoro-7-nitro-2H-indazole
CID 171544924
2-(4-bromo-2-nitrophenyl)-1-phenylindole
CID 118197296
5-bromo-1-methyl-3-nitroquinolin-2-one
CID 162754059
5-bromo-1-methyl-7-nitroindole
CID 67236498
sodium;4-bromo-1-methyl-2-nitrobenzene;hydride
CID 174661083
2,3-dinitrohexacene
CID 101108857
1,9-dimethyl-3-nitropyrido[3,4-b]indole
CID 135060305
6,7-dichloro-5-methylindolo[3,2-b]quinoline
CID 10357481

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride?
The IUPAC name of 7-bromo-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride (CID 46877427) is 7-bromo-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride.
What is the SMILES notation for 7-bromo-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride?
The canonical SMILES for 7-bromo-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride is Cl.Cn1c2c3cc(Br)cc([N+](=O)[O-])c3nc-2cc2ccccc21.
What is the InChIKey of 7-bromo-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride?
The InChIKey is JGKMDXNNJFNPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O2.ClH/c1-19-13-5-3-2-4-9(13)6-12-16(19)11-7-10(17)8-14(20(21)22)15(11)18-12;/h2-8H,1H3;1H.
What are the key properties of 7-bromo-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride?
7-bromo-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride has a molecular weight of 392.64 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride is sourced from PubChem (CID 46877427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).