2-[4-(4-benzamidoanilino)-6-methoxyquinazolin-7-yl]oxyacetic acid

C24H20N4O5 — CID 78673832

IUPAC2-[4-(4-benzamidoanilino)-6-methoxyquinazolin-7-yl]oxyacetic acid
SMILESCOc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(=O)O
InChIInChI=1S/C24H20N4O5/c1-32-20-11-18-19(12-21(20)33-13-22(29)30)25-14-26-23(18)27-16-7-9-17(10-8-16)28-24(31)15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,28,31)(H,29,30)(H,25,26,27)
InChIKeyVAJKCEBFUQHYLC-UHFFFAOYSA-N
MW444.45 g/mol
LogP4.10
Rot. Bonds8

About 2-[4-(4-benzamidoanilino)-6-methoxyquinazolin-7-yl]oxyacetic acid

2-[4-(4-benzamidoanilino)-6-methoxyquinazolin-7-yl]oxyacetic acid (PubChem CID 78673832) has the molecular formula C24H20N4O5 and a molecular weight of 444.45 g/mol. Its IUPAC name is 2-[4-(4-benzamidoanilino)-6-methoxyquinazolin-7-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[4-(4-benzamidoanilino)-6-methoxyquinazolin-7-yl]oxyacetic acid
PubChem CID78673832
Molecular FormulaC24H20N4O5
Molecular Weight444.45 g/mol
Exact Mass444.14
IUPAC Name2-[4-(4-benzamidoanilino)-6-methoxyquinazolin-7-yl]oxyacetic acid
SMILESCOc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(=O)O
InChIInChI=1S/C24H20N4O5/c1-32-20-11-18-19(12-21(20)33-13-22(29)30)25-14-26-23(18)27-16-7-9-17(10-8-16)28-24(31)15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,28,31)(H,29,30)(H,25,26,27)
InChIKeyVAJKCEBFUQHYLC-UHFFFAOYSA-N
XLogP4.10
TPSA122.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-(4-benzamidoanilino)-6-methoxyquinazolin-7-yl]oxyacetic 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 2-[4-(4-benzamidoanilino)-6-methoxyquinazolin-7-yl]oxyacetic acid?
The IUPAC name of 2-[4-(4-benzamidoanilino)-6-methoxyquinazolin-7-yl]oxyacetic acid (CID 78673832) is 2-[4-(4-benzamidoanilino)-6-methoxyquinazolin-7-yl]oxyacetic acid.
What is the SMILES notation for 2-[4-(4-benzamidoanilino)-6-methoxyquinazolin-7-yl]oxyacetic acid?
The canonical SMILES for 2-[4-(4-benzamidoanilino)-6-methoxyquinazolin-7-yl]oxyacetic acid is COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(=O)O.
What is the InChIKey of 2-[4-(4-benzamidoanilino)-6-methoxyquinazolin-7-yl]oxyacetic acid?
The InChIKey is VAJKCEBFUQHYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O5/c1-32-20-11-18-19(12-21(20)33-13-22(29)30)25-14-26-23(18)27-16-7-9-17(10-8-16)28-24(31)15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,28,31)(H,29,30)(H,25,26,27).
What are the key properties of 2-[4-(4-benzamidoanilino)-6-methoxyquinazolin-7-yl]oxyacetic acid?
2-[4-(4-benzamidoanilino)-6-methoxyquinazolin-7-yl]oxyacetic acid has a molecular weight of 444.45 g/mol, XLogP of 4.10, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-benzamidoanilino)-6-methoxyquinazolin-7-yl]oxyacetic acid is sourced from PubChem (CID 78673832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).