[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyridazin-3-ylmethanol

C23H19ClFN5O2 — CID 86292263

IUPAC[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyridazin-3-ylmethanol
SMILESOC(c1cccnn1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl
InChIInChI=1S/C23H19ClFN5O2/c24-18-12-19(25)17(11-16(18)23(31)20-2-1-5-28-29-20)22-15-4-3-14(10-21(15)26-13-27-22)30-6-8-32-9-7-30/h1-5,10-13,23,31H,6-9H2
InChIKeyZYGYHTYPQAHIIL-UHFFFAOYSA-N
MW451.89 g/mol
LogP3.80
Rot. Bonds4

About [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyridazin-3-ylmethanol

[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyridazin-3-ylmethanol (PubChem CID 86292263) has the molecular formula C23H19ClFN5O2 and a molecular weight of 451.89 g/mol. Its IUPAC name is [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyridazin-3-ylmethanol.

Molecular Properties

Compound Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyridazin-3-ylmethanol
PubChem CID86292263
Molecular FormulaC23H19ClFN5O2
Molecular Weight451.89 g/mol
Exact Mass451.12
IUPAC Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyridazin-3-ylmethanol
SMILESOC(c1cccnn1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl
InChIInChI=1S/C23H19ClFN5O2/c24-18-12-19(25)17(11-16(18)23(31)20-2-1-5-28-29-20)22-15-4-3-14(10-21(15)26-13-27-22)30-6-8-32-9-7-30/h1-5,10-13,23,31H,6-9H2
InChIKeyZYGYHTYPQAHIIL-UHFFFAOYSA-N
XLogP3.80
TPSA84.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.89
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyridazin-3-ylmethanol?
The IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyridazin-3-ylmethanol (CID 86292263) is [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyridazin-3-ylmethanol.
What is the SMILES notation for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyridazin-3-ylmethanol?
The canonical SMILES for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyridazin-3-ylmethanol is OC(c1cccnn1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl.
What is the InChIKey of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyridazin-3-ylmethanol?
The InChIKey is ZYGYHTYPQAHIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O2/c24-18-12-19(25)17(11-16(18)23(31)20-2-1-5-28-29-20)22-15-4-3-14(10-21(15)26-13-27-22)30-6-8-32-9-7-30/h1-5,10-13,23,31H,6-9H2.
What are the key properties of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyridazin-3-ylmethanol?
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyridazin-3-ylmethanol has a molecular weight of 451.89 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyridazin-3-ylmethanol is sourced from PubChem (CID 86292263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).