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

C25H24FN5O2 — CID 135268350

IUPAC[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanol
SMILESCc1cc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)cc1C(O)c1ccnnc1C
InChIInChI=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
InChIKeyRMKDWCHACRWENG-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.76
Rot. Bonds4

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 CID135268350
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanol
SMILESCc1cc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)cc1C(O)c1ccnnc1C
InChIInChI=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
InChIKeyRMKDWCHACRWENG-UHFFFAOYSA-N
XLogP3.76
TPSA84.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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).