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

C11H10N2O3 — CID 729512

IUPACmethyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESCOC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C11H10N2O3/c1-16-10(14)6-13-7-12-9-5-3-2-4-8(9)11(13)15/h2-5,7H,6H2,1H3
InChIKeyQKUMWDDGSYLSBF-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.57
Rot. Bonds2

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

methyl 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 729512) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID729512
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namemethyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESCOC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C11H10N2O3/c1-16-10(14)6-13-7-12-9-5-3-2-4-8(9)11(13)15/h2-5,7H,6H2,1H3
InChIKeyQKUMWDDGSYLSBF-UHFFFAOYSA-N
XLogP0.57
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of methyl 2-(4-oxoquinazolin-3-yl)acetate (CID 729512) is methyl 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for methyl 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for methyl 2-(4-oxoquinazolin-3-yl)acetate is COC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of methyl 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is QKUMWDDGSYLSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-10(14)6-13-7-12-9-5-3-2-4-8(9)11(13)15/h2-5,7H,6H2,1H3.
What are the key properties of methyl 2-(4-oxoquinazolin-3-yl)acetate?
methyl 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 218.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 729512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).