5-methyl-2-quinazolin-2-yloxybenzoic acid

C16H12N2O3 — CID 114789657

IUPAC5-methyl-2-quinazolin-2-yloxybenzoic acid
SMILESCc1ccc(Oc2ncc3ccccc3n2)c(C(=O)O)c1
InChIInChI=1S/C16H12N2O3/c1-10-6-7-14(12(8-10)15(19)20)21-16-17-9-11-4-2-3-5-13(11)18-16/h2-9H,1H3,(H,19,20)
InChIKeyJBASSSGFYZAQII-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.43
Rot. Bonds3

About 5-methyl-2-quinazolin-2-yloxybenzoic acid

5-methyl-2-quinazolin-2-yloxybenzoic acid (PubChem CID 114789657) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-methyl-2-quinazolin-2-yloxybenzoic acid.

Molecular Properties

Compound Name5-methyl-2-quinazolin-2-yloxybenzoic acid
PubChem CID114789657
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name5-methyl-2-quinazolin-2-yloxybenzoic acid
SMILESCc1ccc(Oc2ncc3ccccc3n2)c(C(=O)O)c1
InChIInChI=1S/C16H12N2O3/c1-10-6-7-14(12(8-10)15(19)20)21-16-17-9-11-4-2-3-5-13(11)18-16/h2-9H,1H3,(H,19,20)
InChIKeyJBASSSGFYZAQII-UHFFFAOYSA-N
XLogP3.43
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoropyrimidin-2-yl)oxy-5-methylbenzoic acid
CID 104606523
3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid
CID 63206053
2-(1,3-benzothiazol-2-yloxy)-5-methylbenzoic acid
CID 61396339
2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid
CID 61396354
5-methyl-2-phthalazin-1-yloxybenzoic acid
CID 61396297
2-(2-quinazolin-2-yloxyphenoxy)propanoic acid
CID 70466221
2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-methylbenzoic acid
CID 105363214
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617
2-(3,5-dimethylphenoxy)-5-methylbenzoic acid
CID 55192437
2-(1,3-benzothiazol-2-ylmethoxy)-5-methylbenzoic acid
CID 60652782
4-methyl-2-pyrimidin-2-yloxybenzoic acid
CID 61395843
5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid
CID 61396364

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-quinazolin-2-yloxybenzoic acid?
The IUPAC name of 5-methyl-2-quinazolin-2-yloxybenzoic acid (CID 114789657) is 5-methyl-2-quinazolin-2-yloxybenzoic acid.
What is the SMILES notation for 5-methyl-2-quinazolin-2-yloxybenzoic acid?
The canonical SMILES for 5-methyl-2-quinazolin-2-yloxybenzoic acid is Cc1ccc(Oc2ncc3ccccc3n2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-quinazolin-2-yloxybenzoic acid?
The InChIKey is JBASSSGFYZAQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10-6-7-14(12(8-10)15(19)20)21-16-17-9-11-4-2-3-5-13(11)18-16/h2-9H,1H3,(H,19,20).
What are the key properties of 5-methyl-2-quinazolin-2-yloxybenzoic acid?
5-methyl-2-quinazolin-2-yloxybenzoic acid has a molecular weight of 280.28 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-quinazolin-2-yloxybenzoic acid is sourced from PubChem (CID 114789657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).