[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanol

C₂₅H₂₄FN₅O₂ — CID 135268350

About [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanol

[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanol (PubChem CID 135268350) has the molecular formula C₂₅H₂₄FN₅O₂ and a molecular weight of 445.50 g/mol. Its IUPAC name is [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanol.

Molecular Properties

• Compound Name: [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanol
• PubChem CID: 135268350
• Molecular Formula: C₂₅H₂₄FN₅O₂
• Molecular Weight: 445.50 g/mol
• Exact Mass: 445.19
• IUPAC Name: [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanol
• SMILES: Cc1cc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)cc1C(O)c1ccnnc1C
• InChI: InChI=1S/C25H24FN5O2/c1-15-11-22(26)21(13-20(15)25(32)18-5-6-29-30-16(18)2)24-19-4-3-17(12-23(19)27-14-28-24)31-7-9-33-10-8-31/h3-6,11-14,25,32H,7-10H2,1-2H3
• InChIKey: RMKDWCHACRWENG-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 84.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.50
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanol?

The IUPAC name of [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanol (CID 135268350) is [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanol.

What is the SMILES notation for [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanol?

The canonical SMILES for [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanol is Cc1cc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)cc1C(O)c1ccnnc1C.

What is the InChIKey of [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanol?

The InChIKey is RMKDWCHACRWENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-15-11-22(26)21(13-20(15)25(32)18-5-6-29-30-16(18)2)24-19-4-3-17(12-23(19)27-14-28-24)31-7-9-33-10-8-31/h3-6,11-14,25,32H,7-10H2,1-2H3.

What are the key properties of [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanol?

[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanol has a molecular weight of 445.50 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanol is sourced from PubChem (CID 135268350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135268350 — identifiers, structure, computed properties (public domain)

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