1,3-dichloroquinazoline-2,4-dione

C8H4Cl2N2O2 — CID 22245586

IUPAC1,3-dichloroquinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cl)c(=O)n1Cl
InChIInChI=1S/C8H4Cl2N2O2/c9-11-6-4-2-1-3-5(6)7(13)12(10)8(11)14/h1-4H
InChIKeyKAKXVAUFLNJXLE-UHFFFAOYSA-N
MW231.04 g/mol
LogP1.17
Rot. Bonds

About 1,3-dichloroquinazoline-2,4-dione

1,3-dichloroquinazoline-2,4-dione (PubChem CID 22245586) has the molecular formula C8H4Cl2N2O2 and a molecular weight of 231.04 g/mol. Its IUPAC name is 1,3-dichloroquinazoline-2,4-dione.

Molecular Properties

Compound Name1,3-dichloroquinazoline-2,4-dione
PubChem CID22245586
Molecular FormulaC8H4Cl2N2O2
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Name1,3-dichloroquinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cl)c(=O)n1Cl
InChIInChI=1S/C8H4Cl2N2O2/c9-11-6-4-2-1-3-5(6)7(13)12(10)8(11)14/h1-4H
InChIKeyKAKXVAUFLNJXLE-UHFFFAOYSA-N
XLogP1.17
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloroquinazoline-2,4-dione?
The IUPAC name of 1,3-dichloroquinazoline-2,4-dione (CID 22245586) is 1,3-dichloroquinazoline-2,4-dione.
What is the SMILES notation for 1,3-dichloroquinazoline-2,4-dione?
The canonical SMILES for 1,3-dichloroquinazoline-2,4-dione is O=c1c2ccccc2n(Cl)c(=O)n1Cl.
What is the InChIKey of 1,3-dichloroquinazoline-2,4-dione?
The InChIKey is KAKXVAUFLNJXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O2/c9-11-6-4-2-1-3-5(6)7(13)12(10)8(11)14/h1-4H.
What are the key properties of 1,3-dichloroquinazoline-2,4-dione?
1,3-dichloroquinazoline-2,4-dione has a molecular weight of 231.04 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloroquinazoline-2,4-dione is sourced from PubChem (CID 22245586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).