7-prop-1-enyl-1H-quinazoline-2,4-dione

C11H10N2O2 — CID 54401687

IUPAC7-prop-1-enyl-1H-quinazoline-2,4-dione
SMILESCC=Cc1ccc2c(=O)[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H10N2O2/c1-2-3-7-4-5-8-9(6-7)12-11(15)13-10(8)14/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyVNWHBDMTIBTRLN-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.25
Rot. Bonds1

About 7-prop-1-enyl-1H-quinazoline-2,4-dione

7-prop-1-enyl-1H-quinazoline-2,4-dione (PubChem CID 54401687) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 7-prop-1-enyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-prop-1-enyl-1H-quinazoline-2,4-dione
PubChem CID54401687
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name7-prop-1-enyl-1H-quinazoline-2,4-dione
SMILESCC=Cc1ccc2c(=O)[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H10N2O2/c1-2-3-7-4-5-8-9(6-7)12-11(15)13-10(8)14/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyVNWHBDMTIBTRLN-UHFFFAOYSA-N
XLogP1.25
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-prop-1-enyl-1H-quinazoline-2,4-dione?
The IUPAC name of 7-prop-1-enyl-1H-quinazoline-2,4-dione (CID 54401687) is 7-prop-1-enyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-prop-1-enyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-prop-1-enyl-1H-quinazoline-2,4-dione is CC=Cc1ccc2c(=O)[nH]c(=O)[nH]c2c1.
What is the InChIKey of 7-prop-1-enyl-1H-quinazoline-2,4-dione?
The InChIKey is VNWHBDMTIBTRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-2-3-7-4-5-8-9(6-7)12-11(15)13-10(8)14/h2-6H,1H3,(H2,12,13,14,15).
What are the key properties of 7-prop-1-enyl-1H-quinazoline-2,4-dione?
7-prop-1-enyl-1H-quinazoline-2,4-dione has a molecular weight of 202.21 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-1-enyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 54401687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).