4,5-dichloro-3H-quinazolin-2-one

C8H4Cl2N2O — CID 68518818

IUPAC4,5-dichloro-3H-quinazolin-2-one
SMILESO=c1nc2cccc(Cl)c2c(Cl)[nH]1
InChIInChI=1S/C8H4Cl2N2O/c9-4-2-1-3-5-6(4)7(10)12-8(13)11-5/h1-3H,(H,11,12,13)
InChIKeyIYVCYKKJWVQSIU-UHFFFAOYSA-N
MW215.04 g/mol
LogP2.23
Rot. Bonds

About 4,5-dichloro-3H-quinazolin-2-one

4,5-dichloro-3H-quinazolin-2-one (PubChem CID 68518818) has the molecular formula C8H4Cl2N2O and a molecular weight of 215.04 g/mol. Its IUPAC name is 4,5-dichloro-3H-quinazolin-2-one.

Molecular Properties

Compound Name4,5-dichloro-3H-quinazolin-2-one
PubChem CID68518818
Molecular FormulaC8H4Cl2N2O
Molecular Weight215.04 g/mol
Exact Mass213.97
IUPAC Name4,5-dichloro-3H-quinazolin-2-one
SMILESO=c1nc2cccc(Cl)c2c(Cl)[nH]1
InChIInChI=1S/C8H4Cl2N2O/c9-4-2-1-3-5-6(4)7(10)12-8(13)11-5/h1-3H,(H,11,12,13)
InChIKeyIYVCYKKJWVQSIU-UHFFFAOYSA-N
XLogP2.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-3H-quinazolin-2-one?
The IUPAC name of 4,5-dichloro-3H-quinazolin-2-one (CID 68518818) is 4,5-dichloro-3H-quinazolin-2-one.
What is the SMILES notation for 4,5-dichloro-3H-quinazolin-2-one?
The canonical SMILES for 4,5-dichloro-3H-quinazolin-2-one is O=c1nc2cccc(Cl)c2c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-3H-quinazolin-2-one?
The InChIKey is IYVCYKKJWVQSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O/c9-4-2-1-3-5-6(4)7(10)12-8(13)11-5/h1-3H,(H,11,12,13).
What are the key properties of 4,5-dichloro-3H-quinazolin-2-one?
4,5-dichloro-3H-quinazolin-2-one has a molecular weight of 215.04 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-3H-quinazolin-2-one is sourced from PubChem (CID 68518818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).