5,7-dichloro-2,3-diethyl-8-hydroxyquinazolin-4-one

C12H12Cl2N2O2 — CID 163664717

IUPAC5,7-dichloro-2,3-diethyl-8-hydroxyquinazolin-4-one
SMILESCCc1nc2c(O)c(Cl)cc(Cl)c2c(=O)n1CC
InChIInChI=1S/C12H12Cl2N2O2/c1-3-8-15-10-9(12(18)16(8)4-2)6(13)5-7(14)11(10)17/h5,17H,3-4H2,1-2H3
InChIKeyIXKFPIIGISHVKV-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.99
Rot. Bonds2

About 5,7-dichloro-2,3-diethyl-8-hydroxyquinazolin-4-one

5,7-dichloro-2,3-diethyl-8-hydroxyquinazolin-4-one (PubChem CID 163664717) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 5,7-dichloro-2,3-diethyl-8-hydroxyquinazolin-4-one.

Molecular Properties

Compound Name5,7-dichloro-2,3-diethyl-8-hydroxyquinazolin-4-one
PubChem CID163664717
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name5,7-dichloro-2,3-diethyl-8-hydroxyquinazolin-4-one
SMILESCCc1nc2c(O)c(Cl)cc(Cl)c2c(=O)n1CC
InChIInChI=1S/C12H12Cl2N2O2/c1-3-8-15-10-9(12(18)16(8)4-2)6(13)5-7(14)11(10)17/h5,17H,3-4H2,1-2H3
InChIKeyIXKFPIIGISHVKV-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2,3-diethyl-8-hydroxyquinazolin-4-one?
The IUPAC name of 5,7-dichloro-2,3-diethyl-8-hydroxyquinazolin-4-one (CID 163664717) is 5,7-dichloro-2,3-diethyl-8-hydroxyquinazolin-4-one.
What is the SMILES notation for 5,7-dichloro-2,3-diethyl-8-hydroxyquinazolin-4-one?
The canonical SMILES for 5,7-dichloro-2,3-diethyl-8-hydroxyquinazolin-4-one is CCc1nc2c(O)c(Cl)cc(Cl)c2c(=O)n1CC.
What is the InChIKey of 5,7-dichloro-2,3-diethyl-8-hydroxyquinazolin-4-one?
The InChIKey is IXKFPIIGISHVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-3-8-15-10-9(12(18)16(8)4-2)6(13)5-7(14)11(10)17/h5,17H,3-4H2,1-2H3.
What are the key properties of 5,7-dichloro-2,3-diethyl-8-hydroxyquinazolin-4-one?
5,7-dichloro-2,3-diethyl-8-hydroxyquinazolin-4-one has a molecular weight of 287.15 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2,3-diethyl-8-hydroxyquinazolin-4-one is sourced from PubChem (CID 163664717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).