6-bromo-4-oxo-2-[3-(quinazolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid

C25H15BrN2O5 — CID 10839186

IUPAC6-bromo-4-oxo-2-[3-(quinazolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid
SMILESO=C(O)c1cc(Br)cc2c(=O)cc(-c3cccc(OCc4ncc5ccccc5n4)c3)oc12
InChIInChI=1S/C25H15BrN2O5/c26-16-9-18-21(29)11-22(33-24(18)19(10-16)25(30)31)14-5-3-6-17(8-14)32-13-23-27-12-15-4-1-2-7-20(15)28-23/h1-12H,13H2,(H,30,31)
InChIKeyFEGCUSQYQHOKFE-UHFFFAOYSA-N
MW503.31 g/mol
LogP5.44
Rot. Bonds5

About 6-bromo-4-oxo-2-[3-(quinazolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid

6-bromo-4-oxo-2-[3-(quinazolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid (PubChem CID 10839186) has the molecular formula C25H15BrN2O5 and a molecular weight of 503.31 g/mol. Its IUPAC name is 6-bromo-4-oxo-2-[3-(quinazolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid.

Molecular Properties

Compound Name6-bromo-4-oxo-2-[3-(quinazolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid
PubChem CID10839186
Molecular FormulaC25H15BrN2O5
Molecular Weight503.31 g/mol
Exact Mass502.02
IUPAC Name6-bromo-4-oxo-2-[3-(quinazolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid
SMILESO=C(O)c1cc(Br)cc2c(=O)cc(-c3cccc(OCc4ncc5ccccc5n4)c3)oc12
InChIInChI=1S/C25H15BrN2O5/c26-16-9-18-21(29)11-22(33-24(18)19(10-16)25(30)31)14-5-3-6-17(8-14)32-13-23-27-12-15-4-1-2-7-20(15)28-23/h1-12H,13H2,(H,30,31)
InChIKeyFEGCUSQYQHOKFE-UHFFFAOYSA-N
XLogP5.44
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.31
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-bromo-4-oxo-2-[3-(quinazolin-2-ylmethoxy)phenyl]chromene-8-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 6-bromo-4-oxo-2-[3-(quinazolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid?
The IUPAC name of 6-bromo-4-oxo-2-[3-(quinazolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid (CID 10839186) is 6-bromo-4-oxo-2-[3-(quinazolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid.
What is the SMILES notation for 6-bromo-4-oxo-2-[3-(quinazolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid?
The canonical SMILES for 6-bromo-4-oxo-2-[3-(quinazolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid is O=C(O)c1cc(Br)cc2c(=O)cc(-c3cccc(OCc4ncc5ccccc5n4)c3)oc12.
What is the InChIKey of 6-bromo-4-oxo-2-[3-(quinazolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid?
The InChIKey is FEGCUSQYQHOKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15BrN2O5/c26-16-9-18-21(29)11-22(33-24(18)19(10-16)25(30)31)14-5-3-6-17(8-14)32-13-23-27-12-15-4-1-2-7-20(15)28-23/h1-12H,13H2,(H,30,31).
What are the key properties of 6-bromo-4-oxo-2-[3-(quinazolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid?
6-bromo-4-oxo-2-[3-(quinazolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid has a molecular weight of 503.31 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-oxo-2-[3-(quinazolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid is sourced from PubChem (CID 10839186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).