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

C25H20N6O4S — CID 57405485

IUPACN-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide
SMILESCOc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C25H20N6O4S/c1-35-23-22(30-36(33,34)19-8-5-11-27-15-19)13-17(14-28-23)16-9-10-21-20(12-16)24(32)31(25(26)29-21)18-6-3-2-4-7-18/h2-15,30H,1H3,(H2,26,29)
InChIKeyLEPAEWXGTXYMEY-UHFFFAOYSA-N
MW500.54 g/mol
LogP3.23
Rot. Bonds6

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

N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide (PubChem CID 57405485) has the molecular formula C25H20N6O4S and a molecular weight of 500.54 g/mol. Its IUPAC name is N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide
PubChem CID57405485
Molecular FormulaC25H20N6O4S
Molecular Weight500.54 g/mol
Exact Mass500.13
IUPAC NameN-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide
SMILESCOc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C25H20N6O4S/c1-35-23-22(30-36(33,34)19-8-5-11-27-15-19)13-17(14-28-23)16-9-10-21-20(12-16)24(32)31(25(26)29-21)18-6-3-2-4-7-18/h2-15,30H,1H3,(H2,26,29)
InChIKeyLEPAEWXGTXYMEY-UHFFFAOYSA-N
XLogP3.23
TPSA142.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.54
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide with MolForge

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Related Compounds

N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 57404800
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2-methylbenzenesulfonamide
CID 57404801
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-4-cyanobenzenesulfonamide
CID 57405149
N-[5-(2-amino-4-oxo-3-phenyl-quinazolin-6-yl)-2-methoxy-3-pyridyl]-2,4-difluoro-benzenesulfonamide
CID 57406164
10,12-Difluoro-5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,19,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22(30),23,25,27-tetradecaen-14-one
CID 71041954
5-Methoxy-8,8-dioxo-8lambda6-thia-4,7,15,19,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22(30),23,25,27-tetradecaen-14-one
CID 71042022
(2R)-3-[6-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 148470662
(2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 149379706
2,4-difluoro-N-[5-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(methoxymethyl)-3-pyridinyl]benzenesulfonamide
CID 132537543
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-3-methylbenzenesulfonamide
CID 57404804
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]methanesulfonamide
CID 57405314
5-(2-amino-4-oxo-3-(2-(trifluoromethyl)phenyl)-3,4-dihydroquinazolin-6-yl)-N-(2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide
CID 57406702

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide?
The IUPAC name of N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide (CID 57405485) is N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide is COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide?
The InChIKey is LEPAEWXGTXYMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O4S/c1-35-23-22(30-36(33,34)19-8-5-11-27-15-19)13-17(14-28-23)16-9-10-21-20(12-16)24(32)31(25(26)29-21)18-6-3-2-4-7-18/h2-15,30H,1H3,(H2,26,29).
What are the key properties of N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide?
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide has a molecular weight of 500.54 g/mol, XLogP of 3.23, 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]pyridine-3-sulfonamide is sourced from PubChem (CID 57405485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).