6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine

C24H20FN7O2 — CID 155339893

IUPAC6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
SMILESCc1ccc(CNc2ncnc3c(OCc4nc(C)no4)cc(-c4ccc(F)cc4)cc23)nn1
InChIInChI=1S/C24H20FN7O2/c1-14-3-8-19(31-30-14)11-26-24-20-9-17(16-4-6-18(25)7-5-16)10-21(23(20)27-13-28-24)33-12-22-29-15(2)32-34-22/h3-10,13H,11-12H2,1-2H3,(H,26,27,28)
InChIKeyCNDVAAUZYGNDBF-UHFFFAOYSA-N
MW457.47 g/mol
LogP4.42
Rot. Bonds7

About 6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine

6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine (PubChem CID 155339893) has the molecular formula C24H20FN7O2 and a molecular weight of 457.47 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
PubChem CID155339893
Molecular FormulaC24H20FN7O2
Molecular Weight457.47 g/mol
Exact Mass457.17
IUPAC Name6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
SMILESCc1ccc(CNc2ncnc3c(OCc4nc(C)no4)cc(-c4ccc(F)cc4)cc23)nn1
InChIInChI=1S/C24H20FN7O2/c1-14-3-8-19(31-30-14)11-26-24-20-9-17(16-4-6-18(25)7-5-16)10-21(23(20)27-13-28-24)33-12-22-29-15(2)32-34-22/h3-10,13H,11-12H2,1-2H3,(H,26,27,28)
InChIKeyCNDVAAUZYGNDBF-UHFFFAOYSA-N
XLogP4.42
TPSA111.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine (CID 155339893) is 6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine is Cc1ccc(CNc2ncnc3c(OCc4nc(C)no4)cc(-c4ccc(F)cc4)cc23)nn1.
What is the InChIKey of 6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
The InChIKey is CNDVAAUZYGNDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O2/c1-14-3-8-19(31-30-14)11-26-24-20-9-17(16-4-6-18(25)7-5-16)10-21(23(20)27-13-28-24)33-12-22-29-15(2)32-34-22/h3-10,13H,11-12H2,1-2H3,(H,26,27,28).
What are the key properties of 6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine has a molecular weight of 457.47 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 155339893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).