2-[4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]sulfonylguanidine

C19H21N7O3S — CID 155807030

IUPAC2-[4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C19H21N7O3S/c20-18(21)25-30(27,28)14-7-5-13(6-8-14)22-19-23-16-4-2-1-3-15(16)17(24-19)26-9-11-29-12-10-26/h1-8H,9-12H2,(H4,20,21,25)(H,22,23,24)
InChIKeyZLKNSTAYWJWSLL-UHFFFAOYSA-N
MW427.49 g/mol
LogP1.17
Rot. Bonds5

About 2-[4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]sulfonylguanidine

2-[4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]sulfonylguanidine (PubChem CID 155807030) has the molecular formula C19H21N7O3S and a molecular weight of 427.49 g/mol. Its IUPAC name is 2-[4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]sulfonylguanidine.

Molecular Properties

Compound Name2-[4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]sulfonylguanidine
PubChem CID155807030
Molecular FormulaC19H21N7O3S
Molecular Weight427.49 g/mol
Exact Mass427.14
IUPAC Name2-[4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C19H21N7O3S/c20-18(21)25-30(27,28)14-7-5-13(6-8-14)22-19-23-16-4-2-1-3-15(16)17(24-19)26-9-11-29-12-10-26/h1-8H,9-12H2,(H4,20,21,25)(H,22,23,24)
InChIKeyZLKNSTAYWJWSLL-UHFFFAOYSA-N
XLogP1.17
TPSA148.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]sulfonylguanidine?
The IUPAC name of 2-[4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]sulfonylguanidine (CID 155807030) is 2-[4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]sulfonylguanidine.
What is the SMILES notation for 2-[4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]sulfonylguanidine?
The canonical SMILES for 2-[4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]sulfonylguanidine is NC(N)=NS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-[4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]sulfonylguanidine?
The InChIKey is ZLKNSTAYWJWSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3S/c20-18(21)25-30(27,28)14-7-5-13(6-8-14)22-19-23-16-4-2-1-3-15(16)17(24-19)26-9-11-29-12-10-26/h1-8H,9-12H2,(H4,20,21,25)(H,22,23,24).
What are the key properties of 2-[4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]sulfonylguanidine?
2-[4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]sulfonylguanidine has a molecular weight of 427.49 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]sulfonylguanidine is sourced from PubChem (CID 155807030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).