5-bromo-6-methoxy-3-methyl-8-nitroquinoline

C11H9BrN2O3 — CID 119092933

IUPAC5-bromo-6-methoxy-3-methyl-8-nitroquinoline
SMILESCOc1cc([N+](=O)[O-])c2ncc(C)cc2c1Br
InChIInChI=1S/C11H9BrN2O3/c1-6-3-7-10(12)9(17-2)4-8(14(15)16)11(7)13-5-6/h3-5H,1-2H3
InChIKeyCGPUWNMGGIFCGN-UHFFFAOYSA-N
MW297.11 g/mol
LogP3.22
Rot. Bonds2

About 5-bromo-6-methoxy-3-methyl-8-nitroquinoline

5-bromo-6-methoxy-3-methyl-8-nitroquinoline (PubChem CID 119092933) has the molecular formula C11H9BrN2O3 and a molecular weight of 297.11 g/mol. Its IUPAC name is 5-bromo-6-methoxy-3-methyl-8-nitroquinoline.

Molecular Properties

Compound Name5-bromo-6-methoxy-3-methyl-8-nitroquinoline
PubChem CID119092933
Molecular FormulaC11H9BrN2O3
Molecular Weight297.11 g/mol
Exact Mass295.98
IUPAC Name5-bromo-6-methoxy-3-methyl-8-nitroquinoline
SMILESCOc1cc([N+](=O)[O-])c2ncc(C)cc2c1Br
InChIInChI=1S/C11H9BrN2O3/c1-6-3-7-10(12)9(17-2)4-8(14(15)16)11(7)13-5-6/h3-5H,1-2H3
InChIKeyCGPUWNMGGIFCGN-UHFFFAOYSA-N
XLogP3.22
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 53.22
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

6-methoxy-3-methyl-8-nitroquinoline
CID 612677
2,5-dimethyl-3-nitropyridine
CID 12626468
6-methoxy-N,N-dimethyl-8-nitroquinolin-5-amine
CID 619014
2-bromo-3,6-dimethoxy-5-nitropyridine
CID 172541269
3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine
CID 105368287
2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine
CID 71079266
2,4-dibromo-1-methoxy-5-methyl-3-nitrobenzene
CID 165349415
3-bromo-1-methoxy-2-methyl-4-nitrobenzene
CID 53416656
5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine
CID 53412730
4-bromo-1-(4,5-dimethoxy-2-nitrophenyl)-3,5-dimethylpyrazole
CID 83004087
2-chloro-5-methyl-3-nitropyridine
CID 139082293
1-bromo-2-methoxy-5-methyl-3-nitrobenzene;ethane
CID 166130552

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxy-3-methyl-8-nitroquinoline?
The IUPAC name of 5-bromo-6-methoxy-3-methyl-8-nitroquinoline (CID 119092933) is 5-bromo-6-methoxy-3-methyl-8-nitroquinoline.
What is the SMILES notation for 5-bromo-6-methoxy-3-methyl-8-nitroquinoline?
The canonical SMILES for 5-bromo-6-methoxy-3-methyl-8-nitroquinoline is COc1cc([N+](=O)[O-])c2ncc(C)cc2c1Br.
What is the InChIKey of 5-bromo-6-methoxy-3-methyl-8-nitroquinoline?
The InChIKey is CGPUWNMGGIFCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3/c1-6-3-7-10(12)9(17-2)4-8(14(15)16)11(7)13-5-6/h3-5H,1-2H3.
What are the key properties of 5-bromo-6-methoxy-3-methyl-8-nitroquinoline?
5-bromo-6-methoxy-3-methyl-8-nitroquinoline has a molecular weight of 297.11 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methoxy-3-methyl-8-nitroquinoline is sourced from PubChem (CID 119092933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).