6-(3-fluoro-5-methyl-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine

C21H19FN6O — CID 155340251

IUPAC6-(3-fluoro-5-methyl-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
SMILESCOc1cc(-c2ncc(C)cc2F)cc2c(NCc3ccc(C)nn3)ncnc12
InChIInChI=1S/C21H19FN6O/c1-12-6-17(22)19(23-9-12)14-7-16-20(18(8-14)29-3)25-11-26-21(16)24-10-15-5-4-13(2)27-28-15/h4-9,11H,10H2,1-3H3,(H,24,25,26)
InChIKeyFBHZDCOFACYREO-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.86
Rot. Bonds5

About 6-(3-fluoro-5-methyl-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine

6-(3-fluoro-5-methyl-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine (PubChem CID 155340251) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 6-(3-fluoro-5-methyl-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(3-fluoro-5-methyl-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
PubChem CID155340251
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name6-(3-fluoro-5-methyl-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
SMILESCOc1cc(-c2ncc(C)cc2F)cc2c(NCc3ccc(C)nn3)ncnc12
InChIInChI=1S/C21H19FN6O/c1-12-6-17(22)19(23-9-12)14-7-16-20(18(8-14)29-3)25-11-26-21(16)24-10-15-5-4-13(2)27-28-15/h4-9,11H,10H2,1-3H3,(H,24,25,26)
InChIKeyFBHZDCOFACYREO-UHFFFAOYSA-N
XLogP3.86
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-5-methyl-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-(3-fluoro-5-methyl-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine (CID 155340251) is 6-(3-fluoro-5-methyl-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(3-fluoro-5-methyl-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-(3-fluoro-5-methyl-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine is COc1cc(-c2ncc(C)cc2F)cc2c(NCc3ccc(C)nn3)ncnc12.
What is the InChIKey of 6-(3-fluoro-5-methyl-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
The InChIKey is FBHZDCOFACYREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-12-6-17(22)19(23-9-12)14-7-16-20(18(8-14)29-3)25-11-26-21(16)24-10-15-5-4-13(2)27-28-15/h4-9,11H,10H2,1-3H3,(H,24,25,26).
What are the key properties of 6-(3-fluoro-5-methyl-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
6-(3-fluoro-5-methyl-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine has a molecular weight of 390.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-5-methyl-2-pyridinyl)-8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 155340251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).