4-methoxy-2-methyl-6-nitroquinoline

C11H10N2O3 — CID 46708178

IUPAC4-methoxy-2-methyl-6-nitroquinoline
SMILESCOc1cc(C)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C11H10N2O3/c1-7-5-11(16-2)9-6-8(13(14)15)3-4-10(9)12-7/h3-6H,1-2H3
InChIKeyBBNDMUBVXDYIRY-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.46
Rot. Bonds2

About 4-methoxy-2-methyl-6-nitroquinoline

4-methoxy-2-methyl-6-nitroquinoline (PubChem CID 46708178) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-methoxy-2-methyl-6-nitroquinoline.

Molecular Properties

Compound Name4-methoxy-2-methyl-6-nitroquinoline
PubChem CID46708178
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name4-methoxy-2-methyl-6-nitroquinoline
SMILESCOc1cc(C)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C11H10N2O3/c1-7-5-11(16-2)9-6-8(13(14)15)3-4-10(9)12-7/h3-6H,1-2H3
InChIKeyBBNDMUBVXDYIRY-UHFFFAOYSA-N
XLogP2.46
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.46
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'}

Analyze 4-methoxy-2-methyl-6-nitroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-6-nitroquinoline-2-carboxylic acid
CID 676850
2-methyl-6-nitroquinolin-4-amine
CID 11735841
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250
2-methyl-6-nitroquinoline-4-carboxamide
CID 22397065
6-iodo-4-methoxy-2-methylquinoline
CID 82581194
6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108789696
1-methoxy-N-methyl-7-nitroacridin-9-amine
CID 71397248
1-hydroxy-6-nitro-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 11163755
2-methoxy-4-nitrobenzaldehyde
CID 2759599
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-nitroquinazolin-4-amine
CID 68516868
2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol
CID 75520155
methyl 2-[2-(4-methylphenyl)-6-nitroquinolin-4-yl]oxyacetate
CID 46507429

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-6-nitroquinoline?
The IUPAC name of 4-methoxy-2-methyl-6-nitroquinoline (CID 46708178) is 4-methoxy-2-methyl-6-nitroquinoline.
What is the SMILES notation for 4-methoxy-2-methyl-6-nitroquinoline?
The canonical SMILES for 4-methoxy-2-methyl-6-nitroquinoline is COc1cc(C)nc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 4-methoxy-2-methyl-6-nitroquinoline?
The InChIKey is BBNDMUBVXDYIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7-5-11(16-2)9-6-8(13(14)15)3-4-10(9)12-7/h3-6H,1-2H3.
What are the key properties of 4-methoxy-2-methyl-6-nitroquinoline?
4-methoxy-2-methyl-6-nitroquinoline has a molecular weight of 218.21 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-6-nitroquinoline is sourced from PubChem (CID 46708178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).