6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide

C24H19N7O2S — CID 51029627

IUPAC6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide
SMILESNS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)n1
InChIInChI=1S/C24H19N7O2S/c25-34(32,33)21-15-26-14-20(29-21)23-30-19-11-6-10-18(16-7-2-1-3-8-16)22(19)24(31-23)28-13-17-9-4-5-12-27-17/h1-12,14-15H,13H2,(H2,25,32,33)(H,28,30,31)
InChIKeyMUQYRIDVHPKYKS-UHFFFAOYSA-N
MW469.53 g/mol
LogP3.41
Rot. Bonds6

About 6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide

6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide (PubChem CID 51029627) has the molecular formula C24H19N7O2S and a molecular weight of 469.53 g/mol. Its IUPAC name is 6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide.

Molecular Properties

Compound Name6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide
PubChem CID51029627
Molecular FormulaC24H19N7O2S
Molecular Weight469.53 g/mol
Exact Mass469.13
IUPAC Name6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide
SMILESNS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)n1
InChIInChI=1S/C24H19N7O2S/c25-34(32,33)21-15-26-14-20(29-21)23-30-19-11-6-10-18(16-7-2-1-3-8-16)22(19)24(31-23)28-13-17-9-4-5-12-27-17/h1-12,14-15H,13H2,(H2,25,32,33)(H,28,30,31)
InChIKeyMUQYRIDVHPKYKS-UHFFFAOYSA-N
XLogP3.41
TPSA136.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.53
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-carbohydrazide
CID 67055923
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide
CID 51030922
2-[5-(aminomethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl]methanesulfonamide
CID 159681048
2-hydroxy-1-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-2H-pyridine-3-sulfonamide
CID 166810814
2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 151099303
5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde
CID 86670619
N-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-sulfinamide
CID 139377274
2-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]propanamide
CID 51030081
2,2,2-trifluoro-N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide
CID 88891301
2-(2-ethynyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 122643344
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide
CID 126518365
2-ethynyl-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-N-(pyridin-2-ylmethyl)-2-(2H-triazol-4-yl)quinazolin-4-amine
CID 157079210

Frequently Asked Questions

What is the IUPAC name of 6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide?
The IUPAC name of 6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide (CID 51029627) is 6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide.
What is the SMILES notation for 6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide?
The canonical SMILES for 6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide is NS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)n1.
What is the InChIKey of 6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide?
The InChIKey is MUQYRIDVHPKYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O2S/c25-34(32,33)21-15-26-14-20(29-21)23-30-19-11-6-10-18(16-7-2-1-3-8-16)22(19)24(31-23)28-13-17-9-4-5-12-27-17/h1-12,14-15H,13H2,(H2,25,32,33)(H,28,30,31).
What are the key properties of 6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide?
6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide has a molecular weight of 469.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide is sourced from PubChem (CID 51029627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).