[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol

C25H24FN5O3 — CID 167095306

IUPAC[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
SMILESCOc1ccc(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2C)nn1
InChIInChI=1S/C25H24FN5O3/c1-15-11-20(26)19(13-18(15)25(32)21-5-6-23(33-2)30-29-21)24-17-4-3-16(12-22(17)27-14-28-24)31-7-9-34-10-8-31/h3-6,11-14,25,32H,7-10H2,1-2H3
InChIKeyXBMUHZUMDDNNKX-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.46
Rot. Bonds5

About [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol

[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol (PubChem CID 167095306) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol.

Molecular Properties

Compound Name[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
PubChem CID167095306
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
SMILESCOc1ccc(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2C)nn1
InChIInChI=1S/C25H24FN5O3/c1-15-11-20(26)19(13-18(15)25(32)21-5-6-23(33-2)30-29-21)24-17-4-3-16(12-22(17)27-14-28-24)31-7-9-34-10-8-31/h3-6,11-14,25,32H,7-10H2,1-2H3
InChIKeyXBMUHZUMDDNNKX-UHFFFAOYSA-N
XLogP3.46
TPSA93.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-(6-methoxypyridazin-3-yl)methanol?
The IUPAC name of [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol (CID 167095306) is [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol.
What is the SMILES notation for [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol?
The canonical SMILES for [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol is COc1ccc(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2C)nn1.
What is the InChIKey of [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol?
The InChIKey is XBMUHZUMDDNNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-15-11-20(26)19(13-18(15)25(32)21-5-6-23(33-2)30-29-21)24-17-4-3-16(12-22(17)27-14-28-24)31-7-9-34-10-8-31/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]-(6-methoxypyridazin-3-yl)methanol?
[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol has a molecular weight of 461.50 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol is sourced from PubChem (CID 167095306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).