5-chloro-7-ethenyl-3-methyl-1H-quinazoline-2,4-dione

C11H9ClN2O2 — CID 168957512

IUPAC5-chloro-7-ethenyl-3-methyl-1H-quinazoline-2,4-dione
SMILESC=Cc1cc(Cl)c2c(=O)n(C)c(=O)[nH]c2c1
InChIInChI=1S/C11H9ClN2O2/c1-3-6-4-7(12)9-8(5-6)13-11(16)14(2)10(9)15/h3-5H,1H2,2H3,(H,13,16)
InChIKeyUYFNDPIYOXMNCJ-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.52
Rot. Bonds1

About 5-chloro-7-ethenyl-3-methyl-1H-quinazoline-2,4-dione

5-chloro-7-ethenyl-3-methyl-1H-quinazoline-2,4-dione (PubChem CID 168957512) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 5-chloro-7-ethenyl-3-methyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-chloro-7-ethenyl-3-methyl-1H-quinazoline-2,4-dione
PubChem CID168957512
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name5-chloro-7-ethenyl-3-methyl-1H-quinazoline-2,4-dione
SMILESC=Cc1cc(Cl)c2c(=O)n(C)c(=O)[nH]c2c1
InChIInChI=1S/C11H9ClN2O2/c1-3-6-4-7(12)9-8(5-6)13-11(16)14(2)10(9)15/h3-5H,1H2,2H3,(H,13,16)
InChIKeyUYFNDPIYOXMNCJ-UHFFFAOYSA-N
XLogP1.52
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-ethenyl-3-methyl-1H-quinazoline-2,4-dione?
The IUPAC name of 5-chloro-7-ethenyl-3-methyl-1H-quinazoline-2,4-dione (CID 168957512) is 5-chloro-7-ethenyl-3-methyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-chloro-7-ethenyl-3-methyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-chloro-7-ethenyl-3-methyl-1H-quinazoline-2,4-dione is C=Cc1cc(Cl)c2c(=O)n(C)c(=O)[nH]c2c1.
What is the InChIKey of 5-chloro-7-ethenyl-3-methyl-1H-quinazoline-2,4-dione?
The InChIKey is UYFNDPIYOXMNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-3-6-4-7(12)9-8(5-6)13-11(16)14(2)10(9)15/h3-5H,1H2,2H3,(H,13,16).
What are the key properties of 5-chloro-7-ethenyl-3-methyl-1H-quinazoline-2,4-dione?
5-chloro-7-ethenyl-3-methyl-1H-quinazoline-2,4-dione has a molecular weight of 236.66 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-ethenyl-3-methyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 168957512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).