ethyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetate

C13H16N2O3 — CID 5303837

IUPACethyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)N(C)Cc2ccccc21
InChIInChI=1S/C13H16N2O3/c1-3-18-12(16)9-15-11-7-5-4-6-10(11)8-14(2)13(15)17/h4-7H,3,8-9H2,1-2H3
InChIKeyRVAYOLJJWNCYEQ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.62
Rot. Bonds3

About ethyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetate

ethyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetate (PubChem CID 5303837) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is ethyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetate
PubChem CID5303837
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Nameethyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)N(C)Cc2ccccc21
InChIInChI=1S/C13H16N2O3/c1-3-18-12(16)9-15-11-7-5-4-6-10(11)8-14(2)13(15)17/h4-7H,3,8-9H2,1-2H3
InChIKeyRVAYOLJJWNCYEQ-UHFFFAOYSA-N
XLogP1.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetate (CID 5303837) is ethyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetate is CCOC(=O)CN1C(=O)N(C)Cc2ccccc21.
What is the InChIKey of ethyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetate?
The InChIKey is RVAYOLJJWNCYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-18-12(16)9-15-11-7-5-4-6-10(11)8-14(2)13(15)17/h4-7H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetate?
ethyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetate has a molecular weight of 248.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetate is sourced from PubChem (CID 5303837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).