3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide

C19H19BrN4O4S — CID 24589483

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C19H19BrN4O4S/c1-23(2)29(27,28)15-6-4-14(5-7-15)22-18(25)9-10-24-12-21-17-8-3-13(20)11-16(17)19(24)26/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)
InChIKeyUEZKBQIHEMVMFR-UHFFFAOYSA-N
MW479.36 g/mol
LogP2.44
Rot. Bonds6

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 24589483) has the molecular formula C19H19BrN4O4S and a molecular weight of 479.36 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID24589483
Molecular FormulaC19H19BrN4O4S
Molecular Weight479.36 g/mol
Exact Mass478.03
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C19H19BrN4O4S/c1-23(2)29(27,28)15-6-4-14(5-7-15)22-18(25)9-10-24-12-21-17-8-3-13(20)11-16(17)19(24)26/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)
InChIKeyUEZKBQIHEMVMFR-UHFFFAOYSA-N
XLogP2.44
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
CID 30286634
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
CID 46580979
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(1-phenylethylamino)phenyl]propanamide
CID 55987816
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide
CID 34745509
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 31113625
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 31158415
methyl 2-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-2-methylpropanoate
CID 43074401
N-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
CID 53064107
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 31301273
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide
CID 51331711
N-[(2S)-1-aminopropan-2-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 120506243
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 51330900

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide (CID 24589483) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide is CN(C)S(=O)(=O)c1ccc(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is UEZKBQIHEMVMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O4S/c1-23(2)29(27,28)15-6-4-14(5-7-15)22-18(25)9-10-24-12-21-17-8-3-13(20)11-16(17)19(24)26/h3-8,11-12H,9-10H2,1-2H3,(H,22,25).
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 479.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 24589483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).