6-(4-fluorophenyl)-N-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinazoline-8-sulfonamide

C20H19FN6O3S — CID 169093079

IUPAC6-(4-fluorophenyl)-N-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinazoline-8-sulfonamide
SMILESCNS(=O)(=O)c1cc(-c2ccc(F)cc2)cc2c(NC(C)c3nnc(C)o3)ncnc12
InChIInChI=1S/C20H19FN6O3S/c1-11(20-27-26-12(2)30-20)25-19-16-8-14(13-4-6-15(21)7-5-13)9-17(31(28,29)22-3)18(16)23-10-24-19/h4-11,22H,1-3H3,(H,23,24,25)
InChIKeyOWGNPRPCERGEBL-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.21
Rot. Bonds6

About 6-(4-fluorophenyl)-N-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinazoline-8-sulfonamide

6-(4-fluorophenyl)-N-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinazoline-8-sulfonamide (PubChem CID 169093079) has the molecular formula C20H19FN6O3S and a molecular weight of 442.48 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinazoline-8-sulfonamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinazoline-8-sulfonamide
PubChem CID169093079
Molecular FormulaC20H19FN6O3S
Molecular Weight442.48 g/mol
Exact Mass442.12
IUPAC Name6-(4-fluorophenyl)-N-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinazoline-8-sulfonamide
SMILESCNS(=O)(=O)c1cc(-c2ccc(F)cc2)cc2c(NC(C)c3nnc(C)o3)ncnc12
InChIInChI=1S/C20H19FN6O3S/c1-11(20-27-26-12(2)30-20)25-19-16-8-14(13-4-6-15(21)7-5-13)9-17(31(28,29)22-3)18(16)23-10-24-19/h4-11,22H,1-3H3,(H,23,24,25)
InChIKeyOWGNPRPCERGEBL-UHFFFAOYSA-N
XLogP3.21
TPSA122.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinazoline-8-sulfonamide?
The IUPAC name of 6-(4-fluorophenyl)-N-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinazoline-8-sulfonamide (CID 169093079) is 6-(4-fluorophenyl)-N-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinazoline-8-sulfonamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinazoline-8-sulfonamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinazoline-8-sulfonamide is CNS(=O)(=O)c1cc(-c2ccc(F)cc2)cc2c(NC(C)c3nnc(C)o3)ncnc12.
What is the InChIKey of 6-(4-fluorophenyl)-N-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinazoline-8-sulfonamide?
The InChIKey is OWGNPRPCERGEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O3S/c1-11(20-27-26-12(2)30-20)25-19-16-8-14(13-4-6-15(21)7-5-13)9-17(31(28,29)22-3)18(16)23-10-24-19/h4-11,22H,1-3H3,(H,23,24,25).
What are the key properties of 6-(4-fluorophenyl)-N-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinazoline-8-sulfonamide?
6-(4-fluorophenyl)-N-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinazoline-8-sulfonamide has a molecular weight of 442.48 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinazoline-8-sulfonamide is sourced from PubChem (CID 169093079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).