2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C20H19BrN4O4S — CID 30763519

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H19BrN4O4S/c21-14-6-7-18-17(10-14)20(27)24(13-22-18)12-19(26)23-15-4-3-5-16(11-15)30(28,29)25-8-1-2-9-25/h3-7,10-11,13H,1-2,8-9,12H2,(H,23,26)
InChIKeyGNCZSBQGRWYATC-UHFFFAOYSA-N
MW491.37 g/mol
LogP2.58
Rot. Bonds5

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 30763519) has the molecular formula C20H19BrN4O4S and a molecular weight of 491.37 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID30763519
Molecular FormulaC20H19BrN4O4S
Molecular Weight491.37 g/mol
Exact Mass490.03
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H19BrN4O4S/c21-14-6-7-18-17(10-14)20(27)24(13-22-18)12-19(26)23-15-4-3-5-16(11-15)30(28,29)25-8-1-2-9-25/h3-7,10-11,13H,1-2,8-9,12H2,(H,23,26)
InChIKeyGNCZSBQGRWYATC-UHFFFAOYSA-N
XLogP2.58
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-morpholin-4-ylsulfonylphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55307287
2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1259847
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 9355991
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 3311632
N-[3-(dimethylsulfamoyl)phenyl]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55733302
3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17480456
N-[3-(dimethylsulfamoyl)phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30839766
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide
CID 26675731
2-[(4-bromophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 112781729
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 55379284
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 56527596

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 30763519) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is GNCZSBQGRWYATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O4S/c21-14-6-7-18-17(10-14)20(27)24(13-22-18)12-19(26)23-15-4-3-5-16(11-15)30(28,29)25-8-1-2-9-25/h3-7,10-11,13H,1-2,8-9,12H2,(H,23,26).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 491.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 30763519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).