6,7-dimethoxy-8-nitroquinoline

C11H10N2O4 — CID 616387

IUPAC6,7-dimethoxy-8-nitroquinoline
SMILESCOc1cc2cccnc2c([N+](=O)[O-])c1OC
InChIInChI=1S/C11H10N2O4/c1-16-8-6-7-4-3-5-12-9(7)10(13(14)15)11(8)17-2/h3-6H,1-2H3
InChIKeyDKXTUNONWUHSNG-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.16
Rot. Bonds3

About 6,7-dimethoxy-8-nitroquinoline

6,7-dimethoxy-8-nitroquinoline (PubChem CID 616387) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 6,7-dimethoxy-8-nitroquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-8-nitroquinoline
PubChem CID616387
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name6,7-dimethoxy-8-nitroquinoline
SMILESCOc1cc2cccnc2c([N+](=O)[O-])c1OC
InChIInChI=1S/C11H10N2O4/c1-16-8-6-7-4-3-5-12-9(7)10(13(14)15)11(8)17-2/h3-6H,1-2H3
InChIKeyDKXTUNONWUHSNG-UHFFFAOYSA-N
XLogP2.16
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6,7-dimethoxy-8-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

6-methyl-7-nitroquinolin-8-ol
CID 166150155
3-methoxy-2-nitropyridine
CID 556063
6-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline
CID 57350827
7-iodo-8-nitroquinoline
CID 133062974
6-methoxy-N,N-dimethyl-8-nitroquinolin-5-amine
CID 619014
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
5-fluoro-8-methoxy-7-nitroquinoline
CID 166150140
8-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)oxyquinoline
CID 23493774
6,7-dimethoxy-8-nitro-2H-isoquinolin-1-one
CID 24971761
6-methoxy-4-methyl-8-nitroquinolin-7-amine
CID 593976
6-fluoro-7-nitroquinolin-8-ol
CID 166150329
7-chloro-6-methoxy-4-methyl-8-nitroquinoline
CID 619863

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-8-nitroquinoline?
The IUPAC name of 6,7-dimethoxy-8-nitroquinoline (CID 616387) is 6,7-dimethoxy-8-nitroquinoline.
What is the SMILES notation for 6,7-dimethoxy-8-nitroquinoline?
The canonical SMILES for 6,7-dimethoxy-8-nitroquinoline is COc1cc2cccnc2c([N+](=O)[O-])c1OC.
What is the InChIKey of 6,7-dimethoxy-8-nitroquinoline?
The InChIKey is DKXTUNONWUHSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-16-8-6-7-4-3-5-12-9(7)10(13(14)15)11(8)17-2/h3-6H,1-2H3.
What are the key properties of 6,7-dimethoxy-8-nitroquinoline?
6,7-dimethoxy-8-nitroquinoline has a molecular weight of 234.21 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-8-nitroquinoline is sourced from PubChem (CID 616387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).