4-ethoxybenzoic acid;7-nitroquinolin-8-ol

C18H16N2O6 — CID 23620183

IUPAC4-ethoxybenzoic acid;7-nitroquinolin-8-ol
SMILESCCOc1ccc(C(=O)O)cc1.O=[N+]([O-])c1ccc2cccnc2c1O
InChIInChI=1S/C9H6N2O3.C9H10O3/c12-9-7(11(13)14)4-3-6-2-1-5-10-8(6)9;1-2-12-8-5-3-7(4-6-8)9(10)11/h1-5,12H;3-6H,2H2,1H3,(H,10,11)
InChIKeyXPZYGQMDKVVUMK-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.63
Rot. Bonds4

About 4-ethoxybenzoic acid;7-nitroquinolin-8-ol

4-ethoxybenzoic acid;7-nitroquinolin-8-ol (PubChem CID 23620183) has the molecular formula C18H16N2O6 and a molecular weight of 356.33 g/mol. Its IUPAC name is 4-ethoxybenzoic acid;7-nitroquinolin-8-ol.

Molecular Properties

Compound Name4-ethoxybenzoic acid;7-nitroquinolin-8-ol
PubChem CID23620183
Molecular FormulaC18H16N2O6
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Name4-ethoxybenzoic acid;7-nitroquinolin-8-ol
SMILESCCOc1ccc(C(=O)O)cc1.O=[N+]([O-])c1ccc2cccnc2c1O
InChIInChI=1S/C9H6N2O3.C9H10O3/c12-9-7(11(13)14)4-3-6-2-1-5-10-8(6)9;1-2-12-8-5-3-7(4-6-8)9(10)11/h1-5,12H;3-6H,2H2,1H3,(H,10,11)
InChIKeyXPZYGQMDKVVUMK-UHFFFAOYSA-N
XLogP3.63
TPSA122.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
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'}

Analyze 4-ethoxybenzoic acid;7-nitroquinolin-8-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethoxybenzoic acid;7-nitroquinolin-8-ol?
The IUPAC name of 4-ethoxybenzoic acid;7-nitroquinolin-8-ol (CID 23620183) is 4-ethoxybenzoic acid;7-nitroquinolin-8-ol.
What is the SMILES notation for 4-ethoxybenzoic acid;7-nitroquinolin-8-ol?
The canonical SMILES for 4-ethoxybenzoic acid;7-nitroquinolin-8-ol is CCOc1ccc(C(=O)O)cc1.O=[N+]([O-])c1ccc2cccnc2c1O.
What is the InChIKey of 4-ethoxybenzoic acid;7-nitroquinolin-8-ol?
The InChIKey is XPZYGQMDKVVUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3.C9H10O3/c12-9-7(11(13)14)4-3-6-2-1-5-10-8(6)9;1-2-12-8-5-3-7(4-6-8)9(10)11/h1-5,12H;3-6H,2H2,1H3,(H,10,11).
What are the key properties of 4-ethoxybenzoic acid;7-nitroquinolin-8-ol?
4-ethoxybenzoic acid;7-nitroquinolin-8-ol has a molecular weight of 356.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxybenzoic acid;7-nitroquinolin-8-ol is sourced from PubChem (CID 23620183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).