2-amino-5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N,N-diethylpyridine-3-sulfonamide

C23H24N6O3S — CID 67981291

IUPAC2-amino-5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cnc1N
InChIInChI=1S/C23H24N6O3S/c1-3-28(4-2)33(31,32)20-13-16(14-26-21(20)24)15-10-11-19-18(12-15)22(30)29(23(25)27-19)17-8-6-5-7-9-17/h5-14H,3-4H2,1-2H3,(H2,24,26)(H2,25,27)
InChIKeyUUKPQUFHECXZTF-UHFFFAOYSA-N
MW464.55 g/mol
LogP2.64
Rot. Bonds6

About 2-amino-5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N,N-diethylpyridine-3-sulfonamide

2-amino-5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N,N-diethylpyridine-3-sulfonamide (PubChem CID 67981291) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is 2-amino-5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N,N-diethylpyridine-3-sulfonamide
PubChem CID67981291
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC Name2-amino-5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cnc1N
InChIInChI=1S/C23H24N6O3S/c1-3-28(4-2)33(31,32)20-13-16(14-26-21(20)24)15-10-11-19-18(12-15)22(30)29(23(25)27-19)17-8-6-5-7-9-17/h5-14H,3-4H2,1-2H3,(H2,24,26)(H2,25,27)
InChIKeyUUKPQUFHECXZTF-UHFFFAOYSA-N
XLogP2.64
TPSA137.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N,N-diethylpyridine-3-sulfonamide (CID 67981291) is 2-amino-5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1cc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cnc1N.
What is the InChIKey of 2-amino-5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is UUKPQUFHECXZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-3-28(4-2)33(31,32)20-13-16(14-26-21(20)24)15-10-11-19-18(12-15)22(30)29(23(25)27-19)17-8-6-5-7-9-17/h5-14H,3-4H2,1-2H3,(H2,24,26)(H2,25,27).
What are the key properties of 2-amino-5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N,N-diethylpyridine-3-sulfonamide?
2-amino-5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 464.55 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 67981291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).