N-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-N-methylmethanesulfonamide

C11H12BrN3O3S — CID 71906290

IUPACN-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-N-methylmethanesulfonamide
SMILESCN(Cn1cnc2ccc(Br)cc2c1=O)S(C)(=O)=O
InChIInChI=1S/C11H12BrN3O3S/c1-14(19(2,17)18)7-15-6-13-10-4-3-8(12)5-9(10)11(15)16/h3-6H,7H2,1-2H3
InChIKeyFWUMMZVIXREEEN-UHFFFAOYSA-N
MW346.21 g/mol
LogP1.01
Rot. Bonds3

About N-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-N-methylmethanesulfonamide

N-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-N-methylmethanesulfonamide (PubChem CID 71906290) has the molecular formula C11H12BrN3O3S and a molecular weight of 346.21 g/mol. Its IUPAC name is N-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-N-methylmethanesulfonamide
PubChem CID71906290
Molecular FormulaC11H12BrN3O3S
Molecular Weight346.21 g/mol
Exact Mass344.98
IUPAC NameN-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-N-methylmethanesulfonamide
SMILESCN(Cn1cnc2ccc(Br)cc2c1=O)S(C)(=O)=O
InChIInChI=1S/C11H12BrN3O3S/c1-14(19(2,17)18)7-15-6-13-10-4-3-8(12)5-9(10)11(15)16/h3-6H,7H2,1-2H3
InChIKeyFWUMMZVIXREEEN-UHFFFAOYSA-N
XLogP1.01
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-N-methylmethanesulfonamide (CID 71906290) is N-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-N-methylmethanesulfonamide is CN(Cn1cnc2ccc(Br)cc2c1=O)S(C)(=O)=O.
What is the InChIKey of N-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-N-methylmethanesulfonamide?
The InChIKey is FWUMMZVIXREEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O3S/c1-14(19(2,17)18)7-15-6-13-10-4-3-8(12)5-9(10)11(15)16/h3-6H,7H2,1-2H3.
What are the key properties of N-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-N-methylmethanesulfonamide?
N-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-N-methylmethanesulfonamide has a molecular weight of 346.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71906290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).