methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate

C17H14N2O3 — CID 16175

IUPACmethyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate
SMILESCOC(=O)c1ccccc1-n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C17H14N2O3/c1-11-18-14-9-5-3-7-12(14)16(20)19(11)15-10-6-4-8-13(15)17(21)22-2/h3-10H,1-2H3
InChIKeyGWYMSEVUCVMJFZ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.48
Rot. Bonds2

About methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate

methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate (PubChem CID 16175) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate
PubChem CID16175
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Namemethyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate
SMILESCOC(=O)c1ccccc1-n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C17H14N2O3/c1-11-18-14-9-5-3-7-12(14)16(20)19(11)15-10-6-4-8-13(15)17(21)22-2/h3-10H,1-2H3
InChIKeyGWYMSEVUCVMJFZ-UHFFFAOYSA-N
XLogP2.48
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
The IUPAC name of methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate (CID 16175) is methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate.
What is the SMILES notation for methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
The canonical SMILES for methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate is COC(=O)c1ccccc1-n1c(C)nc2ccccc2c1=O.
What is the InChIKey of methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
The InChIKey is GWYMSEVUCVMJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11-18-14-9-5-3-7-12(14)16(20)19(11)15-10-6-4-8-13(15)17(21)22-2/h3-10H,1-2H3.
What are the key properties of methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate has a molecular weight of 294.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate is sourced from PubChem (CID 16175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).