N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide

C24H19N5O4S2 — CID 57405317

IUPACN-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide
SMILESCOc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C24H19N5O4S2/c1-33-22-20(28-35(31,32)21-8-5-11-34-21)13-16(14-26-22)15-9-10-19-18(12-15)23(30)29(24(25)27-19)17-6-3-2-4-7-17/h2-14,28H,1H3,(H2,25,27)
InChIKeyIFWRVAAMBNINRL-UHFFFAOYSA-N
MW505.58 g/mol
LogP3.90
Rot. Bonds6

About N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide

N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 57405317) has the molecular formula C24H19N5O4S2 and a molecular weight of 505.58 g/mol. Its IUPAC name is N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID57405317
Molecular FormulaC24H19N5O4S2
Molecular Weight505.58 g/mol
Exact Mass505.09
IUPAC NameN-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide
SMILESCOc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C24H19N5O4S2/c1-33-22-20(28-35(31,32)21-8-5-11-34-21)13-16(14-26-22)15-9-10-19-18(12-15)23(30)29(24(25)27-19)17-6-3-2-4-7-17/h2-14,28H,1H3,(H2,25,27)
InChIKeyIFWRVAAMBNINRL-UHFFFAOYSA-N
XLogP3.90
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.58
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide 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 N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide (CID 57405317) is N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide is COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is IFWRVAAMBNINRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O4S2/c1-33-22-20(28-35(31,32)21-8-5-11-34-21)13-16(14-26-22)15-9-10-19-18(12-15)23(30)29(24(25)27-19)17-6-3-2-4-7-17/h2-14,28H,1H3,(H2,25,27).
What are the key properties of N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide?
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 505.58 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 57405317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).