6-(4-fluorophenyl)-8-methoxy-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]quinazolin-4-amine

C24H23FN6O2 — CID 155728298

IUPAC6-(4-fluorophenyl)-8-methoxy-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]quinazolin-4-amine
SMILESCOc1cc(-c2ccc(F)cc2)cc2c(NCc3ccc(N4CCOCC4)nn3)ncnc12
InChIInChI=1S/C24H23FN6O2/c1-32-21-13-17(16-2-4-18(25)5-3-16)12-20-23(21)27-15-28-24(20)26-14-19-6-7-22(30-29-19)31-8-10-33-11-9-31/h2-7,12-13,15H,8-11,14H2,1H3,(H,26,27,28)
InChIKeyFOEYZLXALIGEST-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.68
Rot. Bonds6

About 6-(4-fluorophenyl)-8-methoxy-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]quinazolin-4-amine

6-(4-fluorophenyl)-8-methoxy-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]quinazolin-4-amine (PubChem CID 155728298) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-methoxy-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-methoxy-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]quinazolin-4-amine
PubChem CID155728298
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name6-(4-fluorophenyl)-8-methoxy-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]quinazolin-4-amine
SMILESCOc1cc(-c2ccc(F)cc2)cc2c(NCc3ccc(N4CCOCC4)nn3)ncnc12
InChIInChI=1S/C24H23FN6O2/c1-32-21-13-17(16-2-4-18(25)5-3-16)12-20-23(21)27-15-28-24(20)26-14-19-6-7-22(30-29-19)31-8-10-33-11-9-31/h2-7,12-13,15H,8-11,14H2,1H3,(H,26,27,28)
InChIKeyFOEYZLXALIGEST-UHFFFAOYSA-N
XLogP3.68
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-methoxy-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-8-methoxy-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]quinazolin-4-amine (CID 155728298) is 6-(4-fluorophenyl)-8-methoxy-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-8-methoxy-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-8-methoxy-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]quinazolin-4-amine is COc1cc(-c2ccc(F)cc2)cc2c(NCc3ccc(N4CCOCC4)nn3)ncnc12.
What is the InChIKey of 6-(4-fluorophenyl)-8-methoxy-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]quinazolin-4-amine?
The InChIKey is FOEYZLXALIGEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-32-21-13-17(16-2-4-18(25)5-3-16)12-20-23(21)27-15-28-24(20)26-14-19-6-7-22(30-29-19)31-8-10-33-11-9-31/h2-7,12-13,15H,8-11,14H2,1H3,(H,26,27,28).
What are the key properties of 6-(4-fluorophenyl)-8-methoxy-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]quinazolin-4-amine?
6-(4-fluorophenyl)-8-methoxy-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]quinazolin-4-amine has a molecular weight of 446.49 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-methoxy-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 155728298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).