5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-(methoxymethyl)pyridine-3-sulfonamide

C28H25N5O4S — CID 123692237

IUPAC5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-(methoxymethyl)pyridine-3-sulfonamide
SMILESCOCc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C28H25N5O4S/c1-37-18-25-26(38(35,36)31-16-19-8-4-2-5-9-19)15-21(17-30-25)20-12-13-24-23(14-20)27(34)33(28(29)32-24)22-10-6-3-7-11-22/h2-15,17,31H,16,18H2,1H3,(H2,29,32)
InChIKeyVTJNTXZGFHFLFA-UHFFFAOYSA-N
MW527.61 g/mol
LogP3.65
Rot. Bonds8

About 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-(methoxymethyl)pyridine-3-sulfonamide

5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-(methoxymethyl)pyridine-3-sulfonamide (PubChem CID 123692237) has the molecular formula C28H25N5O4S and a molecular weight of 527.61 g/mol. Its IUPAC name is 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-(methoxymethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-(methoxymethyl)pyridine-3-sulfonamide
PubChem CID123692237
Molecular FormulaC28H25N5O4S
Molecular Weight527.61 g/mol
Exact Mass527.16
IUPAC Name5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-(methoxymethyl)pyridine-3-sulfonamide
SMILESCOCc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C28H25N5O4S/c1-37-18-25-26(38(35,36)31-16-19-8-4-2-5-9-19)15-21(17-30-25)20-12-13-24-23(14-20)27(34)33(28(29)32-24)22-10-6-3-7-11-22/h2-15,17,31H,16,18H2,1H3,(H2,29,32)
InChIKeyVTJNTXZGFHFLFA-UHFFFAOYSA-N
XLogP3.65
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.61
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-chloropyridine-3-sulfonamide
CID 88540453
5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid
CID 67981438
2-amino-5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N,N-diethylpyridine-3-sulfonamide
CID 67981291
2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one
CID 67982499
5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-(1-imino-3-methyliminopropan-2-yl)-2-methoxypyridine-3-sulfonamide
CID 123757985
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-methoxyphenyl]-2-methylbenzenesulfonamide
CID 86578259
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-3-cyanobenzenesulfonamide
CID 57405148
5-[2-amino-3-(4-morpholin-4-ylphenyl)-4-oxoquinazolin-6-yl]-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide
CID 67985545
2-amino-6-[6-methoxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-3-phenylquinazolin-4-one
CID 67982263
N-[5-[2-amino-3-(3-methylphenyl)-4-oxoquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 57406339
2-amino-6-[5-(2,4-dimethyl-1,2,4-oxadiazolidin-3-yl)-6-methoxy-3-pyridinyl]-3-phenylquinazolin-4-one
CID 123312166

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-(methoxymethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-(methoxymethyl)pyridine-3-sulfonamide (CID 123692237) is 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-(methoxymethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-(methoxymethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-(methoxymethyl)pyridine-3-sulfonamide is COCc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-(methoxymethyl)pyridine-3-sulfonamide?
The InChIKey is VTJNTXZGFHFLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O4S/c1-37-18-25-26(38(35,36)31-16-19-8-4-2-5-9-19)15-21(17-30-25)20-12-13-24-23(14-20)27(34)33(28(29)32-24)22-10-6-3-7-11-22/h2-15,17,31H,16,18H2,1H3,(H2,29,32).
What are the key properties of 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-(methoxymethyl)pyridine-3-sulfonamide?
5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-(methoxymethyl)pyridine-3-sulfonamide has a molecular weight of 527.61 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-(methoxymethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 123692237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).