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

C12H12N2O3 — CID 135411171

IUPAC(6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate
SMILESCC(=O)OCc1nc2ccc(C)cc2c(=O)[nH]1
InChIInChI=1S/C12H12N2O3/c1-7-3-4-10-9(5-7)12(16)14-11(13-10)6-17-8(2)15/h3-5H,6H2,1-2H3,(H,13,14,16)
InChIKeyWFPDNRLNZZTSQX-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.29
Rot. Bonds2

About (6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate

(6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate (PubChem CID 135411171) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate.

Molecular Properties

Compound Name(6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate
PubChem CID135411171
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name(6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate
SMILESCC(=O)OCc1nc2ccc(C)cc2c(=O)[nH]1
InChIInChI=1S/C12H12N2O3/c1-7-3-4-10-9(5-7)12(16)14-11(13-10)6-17-8(2)15/h3-5H,6H2,1-2H3,(H,13,14,16)
InChIKeyWFPDNRLNZZTSQX-UHFFFAOYSA-N
XLogP1.29
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate?
The IUPAC name of (6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate (CID 135411171) is (6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate.
What is the SMILES notation for (6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate?
The canonical SMILES for (6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate is CC(=O)OCc1nc2ccc(C)cc2c(=O)[nH]1.
What is the InChIKey of (6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate?
The InChIKey is WFPDNRLNZZTSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-3-4-10-9(5-7)12(16)14-11(13-10)6-17-8(2)15/h3-5H,6H2,1-2H3,(H,13,14,16).
What are the key properties of (6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate?
(6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate has a molecular weight of 232.24 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate is sourced from PubChem (CID 135411171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).