2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C22H17FN4O2S — CID 53147366

IUPAC2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=S(=O)(c1cccc2cccnc12)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C22H17FN4O2S/c23-18-8-6-16(7-9-18)22-25-13-17-14-27(12-10-19(17)26-22)30(28,29)20-5-1-3-15-4-2-11-24-21(15)20/h1-9,11,13H,10,12,14H2
InChIKeyFULLWMYMVILFSG-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.58
Rot. Bonds3

About 2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 53147366) has the molecular formula C22H17FN4O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID53147366
Molecular FormulaC22H17FN4O2S
Molecular Weight420.47 g/mol
Exact Mass420.11
IUPAC Name2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=S(=O)(c1cccc2cccnc12)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C22H17FN4O2S/c23-18-8-6-16(7-9-18)22-25-13-17-14-27(12-10-19(17)26-22)30(28,29)20-5-1-3-15-4-2-11-24-21(15)20/h1-9,11,13H,10,12,14H2
InChIKeyFULLWMYMVILFSG-UHFFFAOYSA-N
XLogP3.58
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

6-(5-chlorothiophen-2-yl)sulfonyl-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53147373
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53147437
8-piperidin-1-ylsulfonylquinoline
CID 768759
6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
CID 61045177
6-(4-methoxyphenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53147416
4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole
CID 163350944
8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline
CID 2738249
2-[bis(4-fluorophenyl)methyl]-1-quinolin-8-ylsulfonylpiperidin-4-one
CID 91602279
1-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one
CID 126945683
6-phenyl-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine
CID 67178836
1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one
CID 134161610

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 53147366) is 2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is O=S(=O)(c1cccc2cccnc12)N1CCc2nc(-c3ccc(F)cc3)ncc2C1.
What is the InChIKey of 2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is FULLWMYMVILFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2S/c23-18-8-6-16(7-9-18)22-25-13-17-14-27(12-10-19(17)26-22)30(28,29)20-5-1-3-15-4-2-11-24-21(15)20/h1-9,11,13H,10,12,14H2.
What are the key properties of 2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 420.47 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 53147366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).