1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione

C12H12N2O3 — CID 117262066

IUPAC1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
SMILESCC(=O)Cn1c(=O)c2ccccc2n(C)c1=O
InChIInChI=1S/C12H12N2O3/c1-8(15)7-14-11(16)9-5-3-4-6-10(9)13(2)12(14)17/h3-6H,7H2,1-2H3
InChIKeyXKDCTMBFMGLIDK-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.29
Rot. Bonds2

About 1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione

1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione (PubChem CID 117262066) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
PubChem CID117262066
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
SMILESCC(=O)Cn1c(=O)c2ccccc2n(C)c1=O
InChIInChI=1S/C12H12N2O3/c1-8(15)7-14-11(16)9-5-3-4-6-10(9)13(2)12(14)17/h3-6H,7H2,1-2H3
InChIKeyXKDCTMBFMGLIDK-UHFFFAOYSA-N
XLogP0.29
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione?
The IUPAC name of 1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione (CID 117262066) is 1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione?
The canonical SMILES for 1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione is CC(=O)Cn1c(=O)c2ccccc2n(C)c1=O.
What is the InChIKey of 1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione?
The InChIKey is XKDCTMBFMGLIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8(15)7-14-11(16)9-5-3-4-6-10(9)13(2)12(14)17/h3-6H,7H2,1-2H3.
What are the key properties of 1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione?
1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione has a molecular weight of 232.24 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione is sourced from PubChem (CID 117262066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).