5,7-dimethoxy-2-(4-methyl-3-nitrophenyl)quinoline-4-carboxylic acid

C19H16N2O6 — CID 18073695

IUPAC5,7-dimethoxy-2-(4-methyl-3-nitrophenyl)quinoline-4-carboxylic acid
SMILESCOc1cc(OC)c2c(C(=O)O)cc(-c3ccc(C)c([N+](=O)[O-])c3)nc2c1
InChIInChI=1S/C19H16N2O6/c1-10-4-5-11(6-16(10)21(24)25)14-9-13(19(22)23)18-15(20-14)7-12(26-2)8-17(18)27-3/h4-9H,1-3H3,(H,22,23)
InChIKeyXCZVDWACLFBCOR-UHFFFAOYSA-N
MW368.35 g/mol
LogP3.83
Rot. Bonds5

About 5,7-dimethoxy-2-(4-methyl-3-nitrophenyl)quinoline-4-carboxylic acid

5,7-dimethoxy-2-(4-methyl-3-nitrophenyl)quinoline-4-carboxylic acid (PubChem CID 18073695) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is 5,7-dimethoxy-2-(4-methyl-3-nitrophenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name5,7-dimethoxy-2-(4-methyl-3-nitrophenyl)quinoline-4-carboxylic acid
PubChem CID18073695
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Name5,7-dimethoxy-2-(4-methyl-3-nitrophenyl)quinoline-4-carboxylic acid
SMILESCOc1cc(OC)c2c(C(=O)O)cc(-c3ccc(C)c([N+](=O)[O-])c3)nc2c1
InChIInChI=1S/C19H16N2O6/c1-10-4-5-11(6-16(10)21(24)25)14-9-13(19(22)23)18-15(20-14)7-12(26-2)8-17(18)27-3/h4-9H,1-3H3,(H,22,23)
InChIKeyXCZVDWACLFBCOR-UHFFFAOYSA-N
XLogP3.83
TPSA111.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5,7-dimethoxy-2-(4-methyl-3-nitrophenyl)quinoline-4-carboxylic acid?
The IUPAC name of 5,7-dimethoxy-2-(4-methyl-3-nitrophenyl)quinoline-4-carboxylic acid (CID 18073695) is 5,7-dimethoxy-2-(4-methyl-3-nitrophenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 5,7-dimethoxy-2-(4-methyl-3-nitrophenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 5,7-dimethoxy-2-(4-methyl-3-nitrophenyl)quinoline-4-carboxylic acid is COc1cc(OC)c2c(C(=O)O)cc(-c3ccc(C)c([N+](=O)[O-])c3)nc2c1.
What is the InChIKey of 5,7-dimethoxy-2-(4-methyl-3-nitrophenyl)quinoline-4-carboxylic acid?
The InChIKey is XCZVDWACLFBCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6/c1-10-4-5-11(6-16(10)21(24)25)14-9-13(19(22)23)18-15(20-14)7-12(26-2)8-17(18)27-3/h4-9H,1-3H3,(H,22,23).
What are the key properties of 5,7-dimethoxy-2-(4-methyl-3-nitrophenyl)quinoline-4-carboxylic acid?
5,7-dimethoxy-2-(4-methyl-3-nitrophenyl)quinoline-4-carboxylic acid has a molecular weight of 368.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-(4-methyl-3-nitrophenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 18073695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).