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

C27H26FN5O4 — CID 144744962

IUPAC[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol
SMILESCc1cc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)cc1C(O)c1ccc(OC2COC2)nn1
InChIInChI=1S/C27H26FN5O4/c1-16-10-22(28)21(12-20(16)27(34)23-4-5-25(32-31-23)37-18-13-36-14-18)26-19-3-2-17(11-24(19)29-15-30-26)33-6-8-35-9-7-33/h2-5,10-12,15,18,27,34H,6-9,13-14H2,1H3
InChIKeyLCMZLEHTITYZNX-UHFFFAOYSA-N
MW503.53 g/mol
LogP3.23
Rot. Bonds6

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

[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol (PubChem CID 144744962) has the molecular formula C27H26FN5O4 and a molecular weight of 503.53 g/mol. Its IUPAC name is [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol
PubChem CID144744962
Molecular FormulaC27H26FN5O4
Molecular Weight503.53 g/mol
Exact Mass503.20
IUPAC Name[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol
SMILESCc1cc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)cc1C(O)c1ccc(OC2COC2)nn1
InChIInChI=1S/C27H26FN5O4/c1-16-10-22(28)21(12-20(16)27(34)23-4-5-25(32-31-23)37-18-13-36-14-18)26-19-3-2-17(11-24(19)29-15-30-26)33-6-8-35-9-7-33/h2-5,10-12,15,18,27,34H,6-9,13-14H2,1H3
InChIKeyLCMZLEHTITYZNX-UHFFFAOYSA-N
XLogP3.23
TPSA102.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.53
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-(oxetan-3-yloxy)pyridazin-3-yl]methanol?
The IUPAC name of [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol (CID 144744962) is [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol.
What is the SMILES notation for [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol?
The canonical SMILES for [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol is Cc1cc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)cc1C(O)c1ccc(OC2COC2)nn1.
What is the InChIKey of [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol?
The InChIKey is LCMZLEHTITYZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O4/c1-16-10-22(28)21(12-20(16)27(34)23-4-5-25(32-31-23)37-18-13-36-14-18)26-19-3-2-17(11-24(19)29-15-30-26)33-6-8-35-9-7-33/h2-5,10-12,15,18,27,34H,6-9,13-14H2,1H3.
What are the key properties of [4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol?
[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol has a molecular weight of 503.53 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 9 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-(oxetan-3-yloxy)pyridazin-3-yl]methanol is sourced from PubChem (CID 144744962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).