5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid

C29H27N5O6S — CID 67981438

IUPAC5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid
SMILESCOc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1S(=O)(=O)N(C)Cc1ccccc1.O=CO
InChIInChI=1S/C28H25N5O4S.CH2O2/c1-32(18-19-9-5-3-6-10-19)38(35,36)25-16-21(17-30-26(25)37-2)20-13-14-24-23(15-20)27(34)33(28(29)31-24)22-11-7-4-8-12-22;2-1-3/h3-17H,18H2,1-2H3,(H2,29,31);1H,(H,2,3)
InChIKeyXARISMUTSRDIRY-UHFFFAOYSA-N
MW573.63 g/mol
LogP3.56
Rot. Bonds7

About 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid

5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid (PubChem CID 67981438) has the molecular formula C29H27N5O6S and a molecular weight of 573.63 g/mol. Its IUPAC name is 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid.

Molecular Properties

Compound Name5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid
PubChem CID67981438
Molecular FormulaC29H27N5O6S
Molecular Weight573.63 g/mol
Exact Mass573.17
IUPAC Name5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid
SMILESCOc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1S(=O)(=O)N(C)Cc1ccccc1.O=CO
InChIInChI=1S/C28H25N5O4S.CH2O2/c1-32(18-19-9-5-3-6-10-19)38(35,36)25-16-21(17-30-26(25)37-2)20-13-14-24-23(15-20)27(34)33(28(29)31-24)22-11-7-4-8-12-22;2-1-3/h3-17H,18H2,1-2H3,(H2,29,31);1H,(H,2,3)
InChIKeyXARISMUTSRDIRY-UHFFFAOYSA-N
XLogP3.56
TPSA157.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.63
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid?
The IUPAC name of 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid (CID 67981438) is 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid.
What is the SMILES notation for 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid?
The canonical SMILES for 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid is COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1S(=O)(=O)N(C)Cc1ccccc1.O=CO.
What is the InChIKey of 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid?
The InChIKey is XARISMUTSRDIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O4S.CH2O2/c1-32(18-19-9-5-3-6-10-19)38(35,36)25-16-21(17-30-26(25)37-2)20-13-14-24-23(15-20)27(34)33(28(29)31-24)22-11-7-4-8-12-22;2-1-3/h3-17H,18H2,1-2H3,(H2,29,31);1H,(H,2,3).
What are the key properties of 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid?
5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid has a molecular weight of 573.63 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid is sourced from PubChem (CID 67981438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).