N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide

C28H24N4O4S — CID 86578259

IUPACN-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C28H24N4O4S/c1-18-8-6-7-11-26(18)37(34,35)31-24-17-20(13-15-25(24)36-2)19-12-14-23-22(16-19)27(33)32(28(29)30-23)21-9-4-3-5-10-21/h3-17,31H,1-2H3,(H2,29,30)
InChIKeyFEWRJSWEFZPMCE-UHFFFAOYSA-N
MW512.59 g/mol
LogP4.75
Rot. Bonds6

About N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide

N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide (PubChem CID 86578259) has the molecular formula C28H24N4O4S and a molecular weight of 512.59 g/mol. Its IUPAC name is N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide
PubChem CID86578259
Molecular FormulaC28H24N4O4S
Molecular Weight512.59 g/mol
Exact Mass512.15
IUPAC NameN-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C28H24N4O4S/c1-18-8-6-7-11-26(18)37(34,35)31-24-17-20(13-15-25(24)36-2)19-12-14-23-22(16-19)27(33)32(28(29)30-23)21-9-4-3-5-10-21/h3-17,31H,1-2H3,(H2,29,30)
InChIKeyFEWRJSWEFZPMCE-UHFFFAOYSA-N
XLogP4.75
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.59
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide
CID 86578332
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide
CID 57405317
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-3-cyanobenzenesulfonamide
CID 57405148
2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one
CID 67982499
N-[5-[2-amino-3-(3-methylphenyl)-4-oxoquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 57406339
5-[2-amino-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide
CID 86578333
5-[2-amino-3-(4-morpholin-4-ylphenyl)-4-oxoquinazolin-6-yl]-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide
CID 67985545
N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 16677699
5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-(methoxymethyl)pyridine-3-sulfonamide
CID 123692237
5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-(1-imino-3-methyliminopropan-2-yl)-2-methoxypyridine-3-sulfonamide
CID 123757985
5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid
CID 67981438
N-[5-[2-amino-3-[3-(morpholine-4-carbonyl)phenyl]-4-oxoquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 57406167

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide (CID 86578259) is N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide is COc1ccc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(=O)(=O)c1ccccc1C.
What is the InChIKey of N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide?
The InChIKey is FEWRJSWEFZPMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O4S/c1-18-8-6-7-11-26(18)37(34,35)31-24-17-20(13-15-25(24)36-2)19-12-14-23-22(16-19)27(33)32(28(29)30-23)21-9-4-3-5-10-21/h3-17,31H,1-2H3,(H2,29,30).
What are the key properties of N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide?
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide has a molecular weight of 512.59 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 86578259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).