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

C19H17FN6O3S — CID 155728662

IUPAC6-(4-fluorophenyl)-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]quinazoline-8-sulfonamide
SMILESCNS(=O)(=O)c1cc(-c2ccc(F)cc2)cc2c(NCc3noc(C)n3)ncnc12
InChIInChI=1S/C19H17FN6O3S/c1-11-25-17(26-29-11)9-22-19-15-7-13(12-3-5-14(20)6-4-12)8-16(30(27,28)21-2)18(15)23-10-24-19/h3-8,10,21H,9H2,1-2H3,(H,22,23,24)
InChIKeyGEHYDRKPBLHQFN-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.65
Rot. Bonds6

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

6-(4-fluorophenyl)-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]quinazoline-8-sulfonamide (PubChem CID 155728662) has the molecular formula C19H17FN6O3S and a molecular weight of 428.45 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]quinazoline-8-sulfonamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]quinazoline-8-sulfonamide
PubChem CID155728662
Molecular FormulaC19H17FN6O3S
Molecular Weight428.45 g/mol
Exact Mass428.11
IUPAC Name6-(4-fluorophenyl)-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]quinazoline-8-sulfonamide
SMILESCNS(=O)(=O)c1cc(-c2ccc(F)cc2)cc2c(NCc3noc(C)n3)ncnc12
InChIInChI=1S/C19H17FN6O3S/c1-11-25-17(26-29-11)9-22-19-15-7-13(12-3-5-14(20)6-4-12)8-16(30(27,28)21-2)18(15)23-10-24-19/h3-8,10,21H,9H2,1-2H3,(H,22,23,24)
InChIKeyGEHYDRKPBLHQFN-UHFFFAOYSA-N
XLogP2.65
TPSA122.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-(4-fluorophenyl)-N-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinazoline-8-sulfonamide
CID 169093079
N-[(5-chloropyrimidin-2-yl)methyl]-6-(4-fluorophenyl)-8-methoxyquinazolin-4-amine
CID 155728512
6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
CID 155339893
6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol
CID 155339950
6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 103703166
5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424216
6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine
CID 155340253
2,3,5,6-tetrafluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 107912090
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine
CID 106392946
3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 106402597
5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 102677497
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 114185482

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]quinazoline-8-sulfonamide?
The IUPAC name of 6-(4-fluorophenyl)-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]quinazoline-8-sulfonamide (CID 155728662) is 6-(4-fluorophenyl)-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]quinazoline-8-sulfonamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]quinazoline-8-sulfonamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]quinazoline-8-sulfonamide is CNS(=O)(=O)c1cc(-c2ccc(F)cc2)cc2c(NCc3noc(C)n3)ncnc12.
What is the InChIKey of 6-(4-fluorophenyl)-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]quinazoline-8-sulfonamide?
The InChIKey is GEHYDRKPBLHQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O3S/c1-11-25-17(26-29-11)9-22-19-15-7-13(12-3-5-14(20)6-4-12)8-16(30(27,28)21-2)18(15)23-10-24-19/h3-8,10,21H,9H2,1-2H3,(H,22,23,24).
What are the key properties of 6-(4-fluorophenyl)-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]quinazoline-8-sulfonamide?
6-(4-fluorophenyl)-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]quinazoline-8-sulfonamide has a molecular weight of 428.45 g/mol, XLogP of 2.65, 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-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]quinazoline-8-sulfonamide is sourced from PubChem (CID 155728662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).