5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide

C28H22F2N4O4S — CID 86578332

IUPAC5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2ccc3nc(N)n(-c4ccccc4C)c(=O)c3c2)cc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C28H22F2N4O4S/c1-16-5-3-4-6-24(16)34-27(35)20-13-17(7-10-22(20)32-28(34)31)18-8-12-25(38-2)26(14-18)39(36,37)33-23-11-9-19(29)15-21(23)30/h3-15,33H,1-2H3,(H2,31,32)
InChIKeyVBESUZDVEONGIX-UHFFFAOYSA-N
MW548.57 g/mol
LogP5.03
Rot. Bonds6

About 5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide

5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide (PubChem CID 86578332) has the molecular formula C28H22F2N4O4S and a molecular weight of 548.57 g/mol. Its IUPAC name is 5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide
PubChem CID86578332
Molecular FormulaC28H22F2N4O4S
Molecular Weight548.57 g/mol
Exact Mass548.13
IUPAC Name5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2ccc3nc(N)n(-c4ccccc4C)c(=O)c3c2)cc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C28H22F2N4O4S/c1-16-5-3-4-6-24(16)34-27(35)20-13-17(7-10-22(20)32-28(34)31)18-8-12-25(38-2)26(14-18)39(36,37)33-23-11-9-19(29)15-21(23)30/h3-15,33H,1-2H3,(H2,31,32)
InChIKeyVBESUZDVEONGIX-UHFFFAOYSA-N
XLogP5.03
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.57
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-amino-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide
CID 86578333
2-amino-5-[2-amino-3-(2-chlorophenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)pyridine-3-sulfonamide
CID 67982451
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide
CID 86578259
N-[5-[2-amino-3-(3-methylphenyl)-4-oxoquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 57406339
N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 2981983
5-[2-amino-3-(4-morpholin-4-ylphenyl)-4-oxoquinazolin-6-yl]-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide
CID 67985545
N-[5-[2-amino-3-(3-methylcyclohepta-1,4,6-trien-1-yl)-4-oxoquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 123650636
2-amino-3-(4-fluoro-2-methylphenyl)-6-methylquinazolin-4-one
CID 123570172
2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one
CID 67982499
N-[5-[2-amino-3-[3-(morpholine-4-carbonyl)phenyl]-4-oxoquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 57406167
N-[5-[2-amino-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxoquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 57406700
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide
CID 57405317

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide (CID 86578332) is 5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide is COc1ccc(-c2ccc3nc(N)n(-c4ccccc4C)c(=O)c3c2)cc1S(=O)(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide?
The InChIKey is VBESUZDVEONGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2N4O4S/c1-16-5-3-4-6-24(16)34-27(35)20-13-17(7-10-22(20)32-28(34)31)18-8-12-25(38-2)26(14-18)39(36,37)33-23-11-9-19(29)15-21(23)30/h3-15,33H,1-2H3,(H2,31,32).
What are the key properties of 5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide?
5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide has a molecular weight of 548.57 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 86578332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).