8-methoxy-3-propyl-1H-quinazoline-2,4-dione

C12H14N2O3 — CID 117261902

IUPAC8-methoxy-3-propyl-1H-quinazoline-2,4-dione
SMILESCCCn1c(=O)[nH]c2c(OC)cccc2c1=O
InChIInChI=1S/C12H14N2O3/c1-3-7-14-11(15)8-5-4-6-9(17-2)10(8)13-12(14)16/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyUSPUWADQRWYLCI-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.11
Rot. Bonds3

About 8-methoxy-3-propyl-1H-quinazoline-2,4-dione

8-methoxy-3-propyl-1H-quinazoline-2,4-dione (PubChem CID 117261902) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 8-methoxy-3-propyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name8-methoxy-3-propyl-1H-quinazoline-2,4-dione
PubChem CID117261902
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name8-methoxy-3-propyl-1H-quinazoline-2,4-dione
SMILESCCCn1c(=O)[nH]c2c(OC)cccc2c1=O
InChIInChI=1S/C12H14N2O3/c1-3-7-14-11(15)8-5-4-6-9(17-2)10(8)13-12(14)16/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyUSPUWADQRWYLCI-UHFFFAOYSA-N
XLogP1.11
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-propyl-1H-quinazoline-2,4-dione?
The IUPAC name of 8-methoxy-3-propyl-1H-quinazoline-2,4-dione (CID 117261902) is 8-methoxy-3-propyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 8-methoxy-3-propyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 8-methoxy-3-propyl-1H-quinazoline-2,4-dione is CCCn1c(=O)[nH]c2c(OC)cccc2c1=O.
What is the InChIKey of 8-methoxy-3-propyl-1H-quinazoline-2,4-dione?
The InChIKey is USPUWADQRWYLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-7-14-11(15)8-5-4-6-9(17-2)10(8)13-12(14)16/h4-6H,3,7H2,1-2H3,(H,13,16).
What are the key properties of 8-methoxy-3-propyl-1H-quinazoline-2,4-dione?
8-methoxy-3-propyl-1H-quinazoline-2,4-dione has a molecular weight of 234.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-propyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).