6-chloro-3-ethyl-1H-quinazoline-2,4-dione

C10H9ClN2O2 — CID 94075078

IUPAC6-chloro-3-ethyl-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C10H9ClN2O2/c1-2-13-9(14)7-5-6(11)3-4-8(7)12-10(13)15/h3-5H,2H2,1H3,(H,12,15)
InChIKeyUUJJVCDNMIFONU-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.36
Rot. Bonds1

About 6-chloro-3-ethyl-1H-quinazoline-2,4-dione

6-chloro-3-ethyl-1H-quinazoline-2,4-dione (PubChem CID 94075078) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 6-chloro-3-ethyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-ethyl-1H-quinazoline-2,4-dione
PubChem CID94075078
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name6-chloro-3-ethyl-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C10H9ClN2O2/c1-2-13-9(14)7-5-6(11)3-4-8(7)12-10(13)15/h3-5H,2H2,1H3,(H,12,15)
InChIKeyUUJJVCDNMIFONU-UHFFFAOYSA-N
XLogP1.36
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-chloro-3-ethyl-1H-quinazoline-2,4-dione (CID 94075078) is 6-chloro-3-ethyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-chloro-3-ethyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-chloro-3-ethyl-1H-quinazoline-2,4-dione is CCn1c(=O)[nH]c2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-3-ethyl-1H-quinazoline-2,4-dione?
The InChIKey is UUJJVCDNMIFONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-13-9(14)7-5-6(11)3-4-8(7)12-10(13)15/h3-5H,2H2,1H3,(H,12,15).
What are the key properties of 6-chloro-3-ethyl-1H-quinazoline-2,4-dione?
6-chloro-3-ethyl-1H-quinazoline-2,4-dione has a molecular weight of 224.65 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 94075078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).