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

C11H9BrN2O3 — CID 11738035

IUPAC4-bromo-8-methoxy-6-methyl-5-nitroquinoline
SMILESCOc1cc(C)c([N+](=O)[O-])c2c(Br)ccnc12
InChIInChI=1S/C11H9BrN2O3/c1-6-5-8(17-2)10-9(11(6)14(15)16)7(12)3-4-13-10/h3-5H,1-2H3
InChIKeyDNRXVPDZOKBOMQ-UHFFFAOYSA-N
MW297.11 g/mol
LogP3.22
Rot. Bonds2

About 4-bromo-8-methoxy-6-methyl-5-nitroquinoline

4-bromo-8-methoxy-6-methyl-5-nitroquinoline (PubChem CID 11738035) has the molecular formula C11H9BrN2O3 and a molecular weight of 297.11 g/mol. Its IUPAC name is 4-bromo-8-methoxy-6-methyl-5-nitroquinoline.

Molecular Properties

Compound Name4-bromo-8-methoxy-6-methyl-5-nitroquinoline
PubChem CID11738035
Molecular FormulaC11H9BrN2O3
Molecular Weight297.11 g/mol
Exact Mass295.98
IUPAC Name4-bromo-8-methoxy-6-methyl-5-nitroquinoline
SMILESCOc1cc(C)c([N+](=O)[O-])c2c(Br)ccnc12
InChIInChI=1S/C11H9BrN2O3/c1-6-5-8(17-2)10-9(11(6)14(15)16)7(12)3-4-13-10/h3-5H,1-2H3
InChIKeyDNRXVPDZOKBOMQ-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-4-methyl-8-nitroquinolin-7-amine
CID 593976
7-chloro-6-methoxy-4-methyl-8-nitroquinoline
CID 619863
2,4-dibromo-1-methoxy-5-methyl-3-nitrobenzene
CID 165349415
1-bromo-5-methoxy-3-methyl-2-nitrobenzene
CID 86107754
6,7-dimethoxy-8-nitroquinoline
CID 616387
1-bromo-3,4-dimethoxy-2-nitrobenzene
CID 66522885
6-methyl-7-nitroquinolin-8-ol
CID 166150155
4-methoxy-2-methyl-3-nitropyridine;4-methoxy-2-methyl-5-nitropyridine
CID 161112123
4-chloro-5-methoxy-8-nitroquinoline
CID 19592414
1-bromo-5-fluoro-3-methoxy-2-nitrobenzene
CID 122237423
6-methoxy-2,4-dimethyl-3-nitrobenzoic acid
CID 50883102
1-bromo-2,3,5-trimethyl-4-nitrobenzene
CID 175398096

Frequently Asked Questions

What is the IUPAC name of 4-bromo-8-methoxy-6-methyl-5-nitroquinoline?
The IUPAC name of 4-bromo-8-methoxy-6-methyl-5-nitroquinoline (CID 11738035) is 4-bromo-8-methoxy-6-methyl-5-nitroquinoline.
What is the SMILES notation for 4-bromo-8-methoxy-6-methyl-5-nitroquinoline?
The canonical SMILES for 4-bromo-8-methoxy-6-methyl-5-nitroquinoline is COc1cc(C)c([N+](=O)[O-])c2c(Br)ccnc12.
What is the InChIKey of 4-bromo-8-methoxy-6-methyl-5-nitroquinoline?
The InChIKey is DNRXVPDZOKBOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3/c1-6-5-8(17-2)10-9(11(6)14(15)16)7(12)3-4-13-10/h3-5H,1-2H3.
What are the key properties of 4-bromo-8-methoxy-6-methyl-5-nitroquinoline?
4-bromo-8-methoxy-6-methyl-5-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 4-bromo-8-methoxy-6-methyl-5-nitroquinoline is sourced from PubChem (CID 11738035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).