1,3-dimethyl-5-prop-2-enylquinazoline-2,4-dione

C13H14N2O2 — CID 67166704

IUPAC1,3-dimethyl-5-prop-2-enylquinazoline-2,4-dione
SMILESC=CCc1cccc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C13H14N2O2/c1-4-6-9-7-5-8-10-11(9)12(16)15(3)13(17)14(10)2/h4-5,7-8H,1,6H2,2-3H3
InChIKeyBVRSAPVFBFVQBD-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.97
Rot. Bonds2

About 1,3-dimethyl-5-prop-2-enylquinazoline-2,4-dione

1,3-dimethyl-5-prop-2-enylquinazoline-2,4-dione (PubChem CID 67166704) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1,3-dimethyl-5-prop-2-enylquinazoline-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-prop-2-enylquinazoline-2,4-dione
PubChem CID67166704
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1,3-dimethyl-5-prop-2-enylquinazoline-2,4-dione
SMILESC=CCc1cccc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C13H14N2O2/c1-4-6-9-7-5-8-10-11(9)12(16)15(3)13(17)14(10)2/h4-5,7-8H,1,6H2,2-3H3
InChIKeyBVRSAPVFBFVQBD-UHFFFAOYSA-N
XLogP0.97
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-prop-2-enylquinazoline-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-prop-2-enylquinazoline-2,4-dione (CID 67166704) is 1,3-dimethyl-5-prop-2-enylquinazoline-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-prop-2-enylquinazoline-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-prop-2-enylquinazoline-2,4-dione is C=CCc1cccc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 1,3-dimethyl-5-prop-2-enylquinazoline-2,4-dione?
The InChIKey is BVRSAPVFBFVQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-4-6-9-7-5-8-10-11(9)12(16)15(3)13(17)14(10)2/h4-5,7-8H,1,6H2,2-3H3.
What are the key properties of 1,3-dimethyl-5-prop-2-enylquinazoline-2,4-dione?
1,3-dimethyl-5-prop-2-enylquinazoline-2,4-dione has a molecular weight of 230.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-prop-2-enylquinazoline-2,4-dione is sourced from PubChem (CID 67166704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).