5,7-dichloro-8-hydroxy-3-methyl-2-(methylaminomethyl)quinazolin-4-one

C11H11Cl2N3O2 — CID 11516198

IUPAC5,7-dichloro-8-hydroxy-3-methyl-2-(methylaminomethyl)quinazolin-4-one
SMILESCNCc1nc2c(O)c(Cl)cc(Cl)c2c(=O)n1C
InChIInChI=1S/C11H11Cl2N3O2/c1-14-4-7-15-9-8(11(18)16(7)2)5(12)3-6(13)10(9)17/h3,14,17H,4H2,1-2H3
InChIKeyDUMMIFZCWUWJLV-UHFFFAOYSA-N
MW288.13 g/mol
LogP1.67
Rot. Bonds2

About 5,7-dichloro-8-hydroxy-3-methyl-2-(methylaminomethyl)quinazolin-4-one

5,7-dichloro-8-hydroxy-3-methyl-2-(methylaminomethyl)quinazolin-4-one (PubChem CID 11516198) has the molecular formula C11H11Cl2N3O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 5,7-dichloro-8-hydroxy-3-methyl-2-(methylaminomethyl)quinazolin-4-one.

Molecular Properties

Compound Name5,7-dichloro-8-hydroxy-3-methyl-2-(methylaminomethyl)quinazolin-4-one
PubChem CID11516198
Molecular FormulaC11H11Cl2N3O2
Molecular Weight288.13 g/mol
Exact Mass287.02
IUPAC Name5,7-dichloro-8-hydroxy-3-methyl-2-(methylaminomethyl)quinazolin-4-one
SMILESCNCc1nc2c(O)c(Cl)cc(Cl)c2c(=O)n1C
InChIInChI=1S/C11H11Cl2N3O2/c1-14-4-7-15-9-8(11(18)16(7)2)5(12)3-6(13)10(9)17/h3,14,17H,4H2,1-2H3
InChIKeyDUMMIFZCWUWJLV-UHFFFAOYSA-N
XLogP1.67
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-8-hydroxy-3-methyl-2-(methylaminomethyl)quinazolin-4-one?
The IUPAC name of 5,7-dichloro-8-hydroxy-3-methyl-2-(methylaminomethyl)quinazolin-4-one (CID 11516198) is 5,7-dichloro-8-hydroxy-3-methyl-2-(methylaminomethyl)quinazolin-4-one.
What is the SMILES notation for 5,7-dichloro-8-hydroxy-3-methyl-2-(methylaminomethyl)quinazolin-4-one?
The canonical SMILES for 5,7-dichloro-8-hydroxy-3-methyl-2-(methylaminomethyl)quinazolin-4-one is CNCc1nc2c(O)c(Cl)cc(Cl)c2c(=O)n1C.
What is the InChIKey of 5,7-dichloro-8-hydroxy-3-methyl-2-(methylaminomethyl)quinazolin-4-one?
The InChIKey is DUMMIFZCWUWJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2/c1-14-4-7-15-9-8(11(18)16(7)2)5(12)3-6(13)10(9)17/h3,14,17H,4H2,1-2H3.
What are the key properties of 5,7-dichloro-8-hydroxy-3-methyl-2-(methylaminomethyl)quinazolin-4-one?
5,7-dichloro-8-hydroxy-3-methyl-2-(methylaminomethyl)quinazolin-4-one has a molecular weight of 288.13 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-8-hydroxy-3-methyl-2-(methylaminomethyl)quinazolin-4-one is sourced from PubChem (CID 11516198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).