4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid

C23H18N2O4 — CID 42581400

IUPAC4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid
SMILESCc1nc2ccc(OCc3ccccc3)cc2c(=O)n1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C23H18N2O4/c1-15-24-21-12-11-19(29-14-16-5-3-2-4-6-16)13-20(21)22(26)25(15)18-9-7-17(8-10-18)23(27)28/h2-13H,14H2,1H3,(H,27,28)
InChIKeyIGRYFDGXDLWAIQ-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.97
Rot. Bonds5

About 4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid

4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid (PubChem CID 42581400) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid
PubChem CID42581400
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid
SMILESCc1nc2ccc(OCc3ccccc3)cc2c(=O)n1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C23H18N2O4/c1-15-24-21-12-11-19(29-14-16-5-3-2-4-6-16)13-20(21)22(26)25(15)18-9-7-17(8-10-18)23(27)28/h2-13H,14H2,1H3,(H,27,28)
InChIKeyIGRYFDGXDLWAIQ-UHFFFAOYSA-N
XLogP3.97
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid?
The IUPAC name of 4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid (CID 42581400) is 4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid.
What is the SMILES notation for 4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid?
The canonical SMILES for 4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid is Cc1nc2ccc(OCc3ccccc3)cc2c(=O)n1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid?
The InChIKey is IGRYFDGXDLWAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-15-24-21-12-11-19(29-14-16-5-3-2-4-6-16)13-20(21)22(26)25(15)18-9-7-17(8-10-18)23(27)28/h2-13H,14H2,1H3,(H,27,28).
What are the key properties of 4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid?
4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid has a molecular weight of 386.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid is sourced from PubChem (CID 42581400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).