4-methyl-3-quinazolin-6-ylbenzoic acid

C16H12N2O2 — CID 58829177

IUPAC4-methyl-3-quinazolin-6-ylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1-c1ccc2ncncc2c1
InChIInChI=1S/C16H12N2O2/c1-10-2-3-12(16(19)20)7-14(10)11-4-5-15-13(6-11)8-17-9-18-15/h2-9H,1H3,(H,19,20)
InChIKeyMTIMEEPBDQNGGO-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.30
Rot. Bonds2

About 4-methyl-3-quinazolin-6-ylbenzoic acid

4-methyl-3-quinazolin-6-ylbenzoic acid (PubChem CID 58829177) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-methyl-3-quinazolin-6-ylbenzoic acid.

Molecular Properties

Compound Name4-methyl-3-quinazolin-6-ylbenzoic acid
PubChem CID58829177
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name4-methyl-3-quinazolin-6-ylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1-c1ccc2ncncc2c1
InChIInChI=1S/C16H12N2O2/c1-10-2-3-12(16(19)20)7-14(10)11-4-5-15-13(6-11)8-17-9-18-15/h2-9H,1H3,(H,19,20)
InChIKeyMTIMEEPBDQNGGO-UHFFFAOYSA-N
XLogP3.30
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-quinazolin-6-ylbenzoic acid?
The IUPAC name of 4-methyl-3-quinazolin-6-ylbenzoic acid (CID 58829177) is 4-methyl-3-quinazolin-6-ylbenzoic acid.
What is the SMILES notation for 4-methyl-3-quinazolin-6-ylbenzoic acid?
The canonical SMILES for 4-methyl-3-quinazolin-6-ylbenzoic acid is Cc1ccc(C(=O)O)cc1-c1ccc2ncncc2c1.
What is the InChIKey of 4-methyl-3-quinazolin-6-ylbenzoic acid?
The InChIKey is MTIMEEPBDQNGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-10-2-3-12(16(19)20)7-14(10)11-4-5-15-13(6-11)8-17-9-18-15/h2-9H,1H3,(H,19,20).
What are the key properties of 4-methyl-3-quinazolin-6-ylbenzoic acid?
4-methyl-3-quinazolin-6-ylbenzoic acid has a molecular weight of 264.28 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-quinazolin-6-ylbenzoic acid is sourced from PubChem (CID 58829177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).