5-methyl-3-propyl-1H-quinazoline-2,4-dione

C12H14N2O2 — CID 117261036

IUPAC5-methyl-3-propyl-1H-quinazoline-2,4-dione
SMILESCCCn1c(=O)[nH]c2cccc(C)c2c1=O
InChIInChI=1S/C12H14N2O2/c1-3-7-14-11(15)10-8(2)5-4-6-9(10)13-12(14)16/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyOKLZSEBKWQWTNC-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.41
Rot. Bonds2

About 5-methyl-3-propyl-1H-quinazoline-2,4-dione

5-methyl-3-propyl-1H-quinazoline-2,4-dione (PubChem CID 117261036) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-methyl-3-propyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-propyl-1H-quinazoline-2,4-dione
PubChem CID117261036
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5-methyl-3-propyl-1H-quinazoline-2,4-dione
SMILESCCCn1c(=O)[nH]c2cccc(C)c2c1=O
InChIInChI=1S/C12H14N2O2/c1-3-7-14-11(15)10-8(2)5-4-6-9(10)13-12(14)16/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyOKLZSEBKWQWTNC-UHFFFAOYSA-N
XLogP1.41
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propyl-1H-quinazoline-2,4-dione?
The IUPAC name of 5-methyl-3-propyl-1H-quinazoline-2,4-dione (CID 117261036) is 5-methyl-3-propyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-methyl-3-propyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-methyl-3-propyl-1H-quinazoline-2,4-dione is CCCn1c(=O)[nH]c2cccc(C)c2c1=O.
What is the InChIKey of 5-methyl-3-propyl-1H-quinazoline-2,4-dione?
The InChIKey is OKLZSEBKWQWTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-7-14-11(15)10-8(2)5-4-6-9(10)13-12(14)16/h4-6H,3,7H2,1-2H3,(H,13,16).
What are the key properties of 5-methyl-3-propyl-1H-quinazoline-2,4-dione?
5-methyl-3-propyl-1H-quinazoline-2,4-dione has a molecular weight of 218.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).