methyl 4-quinazolin-2-ylbenzoate

C16H12N2O2 — CID 156769419

IUPACmethyl 4-quinazolin-2-ylbenzoate
SMILESCOC(=O)c1ccc(-c2ncc3ccccc3n2)cc1
InChIInChI=1S/C16H12N2O2/c1-20-16(19)12-8-6-11(7-9-12)15-17-10-13-4-2-3-5-14(13)18-15/h2-10H,1H3
InChIKeyXZZFOQZDBATCFN-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.08
Rot. Bonds2

About methyl 4-quinazolin-2-ylbenzoate

methyl 4-quinazolin-2-ylbenzoate (PubChem CID 156769419) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 4-quinazolin-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 4-quinazolin-2-ylbenzoate
PubChem CID156769419
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Namemethyl 4-quinazolin-2-ylbenzoate
SMILESCOC(=O)c1ccc(-c2ncc3ccccc3n2)cc1
InChIInChI=1S/C16H12N2O2/c1-20-16(19)12-8-6-11(7-9-12)15-17-10-13-4-2-3-5-14(13)18-15/h2-10H,1H3
InChIKeyXZZFOQZDBATCFN-UHFFFAOYSA-N
XLogP3.08
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylquinazoline
CID 158733567
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
CID 1187533
2-phenylquinazoline-7-carbonyl chloride
CID 169130790
N,N-diethyl-4-quinazolin-2-ylaniline
CID 22356712
methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate
CID 1183964
methyl 4-(2-methylpyrimidin-5-yl)benzoate
CID 90375403
methyl phenazine-2-carboxylate
CID 617185
methyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate
CID 151400269
2-phenylquinazoline;1H-pyrrole
CID 162097748
dimethyl 2,5-bis(4-methoxycarbonylphenyl)pyrimidine-4,6-dicarboxylate
CID 122204693
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431

Frequently Asked Questions

What is the IUPAC name of methyl 4-quinazolin-2-ylbenzoate?
The IUPAC name of methyl 4-quinazolin-2-ylbenzoate (CID 156769419) is methyl 4-quinazolin-2-ylbenzoate.
What is the SMILES notation for methyl 4-quinazolin-2-ylbenzoate?
The canonical SMILES for methyl 4-quinazolin-2-ylbenzoate is COC(=O)c1ccc(-c2ncc3ccccc3n2)cc1.
What is the InChIKey of methyl 4-quinazolin-2-ylbenzoate?
The InChIKey is XZZFOQZDBATCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-20-16(19)12-8-6-11(7-9-12)15-17-10-13-4-2-3-5-14(13)18-15/h2-10H,1H3.
What are the key properties of methyl 4-quinazolin-2-ylbenzoate?
methyl 4-quinazolin-2-ylbenzoate has a molecular weight of 264.28 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-quinazolin-2-ylbenzoate is sourced from PubChem (CID 156769419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).