N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide

C28H24N8O3S — CID 122643337

IUPACN-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide
SMILESN/N=N/C(=O)CS(=O)(=O)Cc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1
InChIInChI=1S/C28H24N8O3S/c29-36-35-25(37)18-40(38,39)17-19-13-21(15-30-14-19)27-33-24-11-6-10-23(20-7-2-1-3-8-20)26(24)28(34-27)32-16-22-9-4-5-12-31-22/h1-15H,16-18H2,(H2,29,35,37)(H,32,33,34)
InChIKeyBWKWXHUUCUQEIL-UHFFFAOYSA-N
MW552.62 g/mol
LogP4.13
Rot. Bonds9

About N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide

N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide (PubChem CID 122643337) has the molecular formula C28H24N8O3S and a molecular weight of 552.62 g/mol. Its IUPAC name is N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide
PubChem CID122643337
Molecular FormulaC28H24N8O3S
Molecular Weight552.62 g/mol
Exact Mass552.17
IUPAC NameN-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide
SMILESN/N=N/C(=O)CS(=O)(=O)Cc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1
InChIInChI=1S/C28H24N8O3S/c29-36-35-25(37)18-40(38,39)17-19-13-21(15-30-14-19)27-33-24-11-6-10-23(20-7-2-1-3-8-20)26(24)28(34-27)32-16-22-9-4-5-12-31-22/h1-15H,16-18H2,(H2,29,35,37)(H,32,33,34)
InChIKeyBWKWXHUUCUQEIL-UHFFFAOYSA-N
XLogP4.13
TPSA165.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.62
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl)pyridine-3-sulfonamide
CID 51030730
5-phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)quinazolin-4-amine
CID 51030636
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine
CID 51030641
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1H-pyridin-2-one
CID 51030732
2-(2-methoxypyrimidin-5-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 51030830
N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide
CID 51030833
5-Phenyl-4-(pyridin-2-ylmethylamino)-2-[5-(sulfamoylamino)-3-pyridinyl]quinazoline
CID 51030834
5-phenyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 68204896
5-phenyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 68204907
[5-[5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]urea
CID 51030919
[5-[5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2-pyridinyl]urea
CID 68204998
N-[6-[2-(methylamino)propanoylamino]-4-(6-methylquinolin-5-yl)-2-pyridinyl]quinazoline-2-carboxamide
CID 117902793

Frequently Asked Questions

What is the IUPAC name of N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide?
The IUPAC name of N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide (CID 122643337) is N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide.
What is the SMILES notation for N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide?
The canonical SMILES for N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide is N/N=N/C(=O)CS(=O)(=O)Cc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1.
What is the InChIKey of N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide?
The InChIKey is BWKWXHUUCUQEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O3S/c29-36-35-25(37)18-40(38,39)17-19-13-21(15-30-14-19)27-33-24-11-6-10-23(20-7-2-1-3-8-20)26(24)28(34-27)32-16-22-9-4-5-12-31-22/h1-15H,16-18H2,(H2,29,35,37)(H,32,33,34).
What are the key properties of N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide?
N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide has a molecular weight of 552.62 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide is sourced from PubChem (CID 122643337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).