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

C16H11ClFN3O2 — CID 46877422

IUPAC2-fluoro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride
SMILESCl.Cn1c2c3cccc([N+](=O)[O-])c3nc-2cc2cc(F)ccc21
InChIInChI=1S/C16H10FN3O2.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
InChIKeyLKVQFHVIMGWJGW-UHFFFAOYSA-N
MW331.73 g/mol
LogP4.30
Rot. Bonds1

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

2-fluoro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride (PubChem CID 46877422) has the molecular formula C16H11ClFN3O2 and a molecular weight of 331.73 g/mol. Its IUPAC name is 2-fluoro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride.

Molecular Properties

Compound Name2-fluoro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride
PubChem CID46877422
Molecular FormulaC16H11ClFN3O2
Molecular Weight331.73 g/mol
Exact Mass331.05
IUPAC Name2-fluoro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride
SMILESCl.Cn1c2c3cccc([N+](=O)[O-])c3nc-2cc2cc(F)ccc21
InChIInChI=1S/C16H10FN3O2.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
InChIKeyLKVQFHVIMGWJGW-UHFFFAOYSA-N
XLogP4.30
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 54.30
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride?
The IUPAC name of 2-fluoro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride (CID 46877422) is 2-fluoro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride.
What is the SMILES notation for 2-fluoro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride?
The canonical SMILES for 2-fluoro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride is Cl.Cn1c2c3cccc([N+](=O)[O-])c3nc-2cc2cc(F)ccc21.
What is the InChIKey of 2-fluoro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride?
The InChIKey is LKVQFHVIMGWJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O2.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-fluoro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride?
2-fluoro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride has a molecular weight of 331.73 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-9-nitroindolo[3,2-b]quinoline;hydrochloride is sourced from PubChem (CID 46877422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).