5-chloro-7-methoxy-9-oxo-1-azatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene-2-carboxylic acid

C15H14ClNO4 — CID 70238186

IUPAC5-chloro-7-methoxy-9-oxo-1-azatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene-2-carboxylic acid
SMILESCOc1cc(Cl)c2cc(C(=O)O)n3c2c1C(=O)CCCC3
InChIInChI=1S/C15H14ClNO4/c1-21-12-7-9(16)8-6-10(15(19)20)17-5-3-2-4-11(18)13(12)14(8)17/h6-7H,2-5H2,1H3,(H,19,20)
InChIKeyCBUXUQHLZLSFAA-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.37
Rot. Bonds2

About 5-chloro-7-methoxy-9-oxo-1-azatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene-2-carboxylic acid

5-chloro-7-methoxy-9-oxo-1-azatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene-2-carboxylic acid (PubChem CID 70238186) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 5-chloro-7-methoxy-9-oxo-1-azatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-7-methoxy-9-oxo-1-azatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene-2-carboxylic acid
PubChem CID70238186
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name5-chloro-7-methoxy-9-oxo-1-azatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene-2-carboxylic acid
SMILESCOc1cc(Cl)c2cc(C(=O)O)n3c2c1C(=O)CCCC3
InChIInChI=1S/C15H14ClNO4/c1-21-12-7-9(16)8-6-10(15(19)20)17-5-3-2-4-11(18)13(12)14(8)17/h6-7H,2-5H2,1H3,(H,19,20)
InChIKeyCBUXUQHLZLSFAA-UHFFFAOYSA-N
XLogP3.37
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-7-methoxy-9-oxo-1-azatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene-2-carboxylic acid 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 5-chloro-7-methoxy-9-oxo-1-azatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene-2-carboxylic acid?
The IUPAC name of 5-chloro-7-methoxy-9-oxo-1-azatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene-2-carboxylic acid (CID 70238186) is 5-chloro-7-methoxy-9-oxo-1-azatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene-2-carboxylic acid.
What is the SMILES notation for 5-chloro-7-methoxy-9-oxo-1-azatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene-2-carboxylic acid?
The canonical SMILES for 5-chloro-7-methoxy-9-oxo-1-azatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene-2-carboxylic acid is COc1cc(Cl)c2cc(C(=O)O)n3c2c1C(=O)CCCC3.
What is the InChIKey of 5-chloro-7-methoxy-9-oxo-1-azatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene-2-carboxylic acid?
The InChIKey is CBUXUQHLZLSFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-21-12-7-9(16)8-6-10(15(19)20)17-5-3-2-4-11(18)13(12)14(8)17/h6-7H,2-5H2,1H3,(H,19,20).
What are the key properties of 5-chloro-7-methoxy-9-oxo-1-azatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene-2-carboxylic acid?
5-chloro-7-methoxy-9-oxo-1-azatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene-2-carboxylic acid has a molecular weight of 307.73 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-9-oxo-1-azatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene-2-carboxylic acid is sourced from PubChem (CID 70238186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).