5-phenyl-4-(pyridin-2-ylmethylamino)-2-[5-(sulfamoylamino)-3-pyridinyl]quinazoline

C25H21N7O2S — CID 51030834

IUPAC5-phenyl-4-(pyridin-2-ylmethylamino)-2-[5-(sulfamoylamino)-3-pyridinyl]quinazoline
SMILESNS(=O)(=O)Nc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1
InChIInChI=1S/C25H21N7O2S/c26-35(33,34)32-20-13-18(14-27-15-20)24-30-22-11-6-10-21(17-7-2-1-3-8-17)23(22)25(31-24)29-16-19-9-4-5-12-28-19/h1-15,32H,16H2,(H2,26,33,34)(H,29,30,31)
InChIKeyGPYUSYNKDNQBNE-UHFFFAOYSA-N
MW483.56 g/mol
LogP3.98
Rot. Bonds7

About 5-phenyl-4-(pyridin-2-ylmethylamino)-2-[5-(sulfamoylamino)-3-pyridinyl]quinazoline

5-phenyl-4-(pyridin-2-ylmethylamino)-2-[5-(sulfamoylamino)-3-pyridinyl]quinazoline (PubChem CID 51030834) has the molecular formula C25H21N7O2S and a molecular weight of 483.56 g/mol. Its IUPAC name is 5-phenyl-4-(pyridin-2-ylmethylamino)-2-[5-(sulfamoylamino)-3-pyridinyl]quinazoline.

Molecular Properties

Compound Name5-phenyl-4-(pyridin-2-ylmethylamino)-2-[5-(sulfamoylamino)-3-pyridinyl]quinazoline
PubChem CID51030834
Molecular FormulaC25H21N7O2S
Molecular Weight483.56 g/mol
Exact Mass483.15
IUPAC Name5-phenyl-4-(pyridin-2-ylmethylamino)-2-[5-(sulfamoylamino)-3-pyridinyl]quinazoline
SMILESNS(=O)(=O)Nc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1
InChIInChI=1S/C25H21N7O2S/c26-35(33,34)32-20-13-18(14-27-15-20)24-30-22-11-6-10-21(17-7-2-1-3-8-17)23(22)25(31-24)29-16-19-9-4-5-12-28-19/h1-15,32H,16H2,(H2,26,33,34)(H,29,30,31)
InChIKeyGPYUSYNKDNQBNE-UHFFFAOYSA-N
XLogP3.98
TPSA135.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-phenyl-4-(pyridin-2-ylmethylamino)-2-[5-(sulfamoylamino)-3-pyridinyl]quinazoline with MolForge

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Related Compounds

5-(5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl)pyridine-3-sulfonamide
CID 51030730
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Ldn-212854
CID 60182388
Sri-9439
CID 446752
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
Baquiloprim
CID 9861430
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-(pyridin-2-ylmethylamino)-2-[5-(sulfamoylamino)-3-pyridinyl]quinazoline?
The IUPAC name of 5-phenyl-4-(pyridin-2-ylmethylamino)-2-[5-(sulfamoylamino)-3-pyridinyl]quinazoline (CID 51030834) is 5-phenyl-4-(pyridin-2-ylmethylamino)-2-[5-(sulfamoylamino)-3-pyridinyl]quinazoline.
What is the SMILES notation for 5-phenyl-4-(pyridin-2-ylmethylamino)-2-[5-(sulfamoylamino)-3-pyridinyl]quinazoline?
The canonical SMILES for 5-phenyl-4-(pyridin-2-ylmethylamino)-2-[5-(sulfamoylamino)-3-pyridinyl]quinazoline is NS(=O)(=O)Nc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1.
What is the InChIKey of 5-phenyl-4-(pyridin-2-ylmethylamino)-2-[5-(sulfamoylamino)-3-pyridinyl]quinazoline?
The InChIKey is GPYUSYNKDNQBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O2S/c26-35(33,34)32-20-13-18(14-27-15-20)24-30-22-11-6-10-21(17-7-2-1-3-8-17)23(22)25(31-24)29-16-19-9-4-5-12-28-19/h1-15,32H,16H2,(H2,26,33,34)(H,29,30,31).
What are the key properties of 5-phenyl-4-(pyridin-2-ylmethylamino)-2-[5-(sulfamoylamino)-3-pyridinyl]quinazoline?
5-phenyl-4-(pyridin-2-ylmethylamino)-2-[5-(sulfamoylamino)-3-pyridinyl]quinazoline has a molecular weight of 483.56 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-(pyridin-2-ylmethylamino)-2-[5-(sulfamoylamino)-3-pyridinyl]quinazoline is sourced from PubChem (CID 51030834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).