5-bromo-7-chloro-1,3-dimethyl-4H-quinazolin-2-one

C10H10BrClN2O — CID 171809907

IUPAC5-bromo-7-chloro-1,3-dimethyl-4H-quinazolin-2-one
SMILESCN1Cc2c(Br)cc(Cl)cc2N(C)C1=O
InChIInChI=1S/C10H10BrClN2O/c1-13-5-7-8(11)3-6(12)4-9(7)14(2)10(13)15/h3-4H,5H2,1-2H3
InChIKeyMSGZYDUAWPRUHA-UHFFFAOYSA-N
MW289.56 g/mol
LogP3.10
Rot. Bonds

About 5-bromo-7-chloro-1,3-dimethyl-4H-quinazolin-2-one

5-bromo-7-chloro-1,3-dimethyl-4H-quinazolin-2-one (PubChem CID 171809907) has the molecular formula C10H10BrClN2O and a molecular weight of 289.56 g/mol. Its IUPAC name is 5-bromo-7-chloro-1,3-dimethyl-4H-quinazolin-2-one.

Molecular Properties

Compound Name5-bromo-7-chloro-1,3-dimethyl-4H-quinazolin-2-one
PubChem CID171809907
Molecular FormulaC10H10BrClN2O
Molecular Weight289.56 g/mol
Exact Mass287.97
IUPAC Name5-bromo-7-chloro-1,3-dimethyl-4H-quinazolin-2-one
SMILESCN1Cc2c(Br)cc(Cl)cc2N(C)C1=O
InChIInChI=1S/C10H10BrClN2O/c1-13-5-7-8(11)3-6(12)4-9(7)14(2)10(13)15/h3-4H,5H2,1-2H3
InChIKeyMSGZYDUAWPRUHA-UHFFFAOYSA-N
XLogP3.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-1,3-dimethyl-4H-quinazolin-2-one?
The IUPAC name of 5-bromo-7-chloro-1,3-dimethyl-4H-quinazolin-2-one (CID 171809907) is 5-bromo-7-chloro-1,3-dimethyl-4H-quinazolin-2-one.
What is the SMILES notation for 5-bromo-7-chloro-1,3-dimethyl-4H-quinazolin-2-one?
The canonical SMILES for 5-bromo-7-chloro-1,3-dimethyl-4H-quinazolin-2-one is CN1Cc2c(Br)cc(Cl)cc2N(C)C1=O.
What is the InChIKey of 5-bromo-7-chloro-1,3-dimethyl-4H-quinazolin-2-one?
The InChIKey is MSGZYDUAWPRUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O/c1-13-5-7-8(11)3-6(12)4-9(7)14(2)10(13)15/h3-4H,5H2,1-2H3.
What are the key properties of 5-bromo-7-chloro-1,3-dimethyl-4H-quinazolin-2-one?
5-bromo-7-chloro-1,3-dimethyl-4H-quinazolin-2-one has a molecular weight of 289.56 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-1,3-dimethyl-4H-quinazolin-2-one is sourced from PubChem (CID 171809907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).