(6-chloropyridazin-3-yl)-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol

C23H18ClF2N5O2 — CID 118954910

IUPAC(6-chloropyridazin-3-yl)-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESOC(c1ccc(Cl)nn1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1F
InChIInChI=1S/C23H18ClF2N5O2/c24-21-4-3-19(29-30-21)23(32)16-10-15(17(25)11-18(16)26)22-14-2-1-13(9-20(14)27-12-28-22)31-5-7-33-8-6-31/h1-4,9-12,23,32H,5-8H2
InChIKeyRYTVQFQGZIKYTM-UHFFFAOYSA-N
MW469.88 g/mol
LogP3.94
Rot. Bonds4

About (6-chloropyridazin-3-yl)-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol

(6-chloropyridazin-3-yl)-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (PubChem CID 118954910) has the molecular formula C23H18ClF2N5O2 and a molecular weight of 469.88 g/mol. Its IUPAC name is (6-chloropyridazin-3-yl)-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name(6-chloropyridazin-3-yl)-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
PubChem CID118954910
Molecular FormulaC23H18ClF2N5O2
Molecular Weight469.88 g/mol
Exact Mass469.11
IUPAC Name(6-chloropyridazin-3-yl)-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESOC(c1ccc(Cl)nn1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1F
InChIInChI=1S/C23H18ClF2N5O2/c24-21-4-3-19(29-30-21)23(32)16-10-15(17(25)11-18(16)26)22-14-2-1-13(9-20(14)27-12-28-22)31-5-7-33-8-6-31/h1-4,9-12,23,32H,5-8H2
InChIKeyRYTVQFQGZIKYTM-UHFFFAOYSA-N
XLogP3.94
TPSA84.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.88
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6-chloropyridazin-3-yl)-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol with MolForge

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Related Compounds

Peposertib
CID 86292849
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CID 86291668
US10172859, Example 26
CID 86291868
US10172859, Example 36
CID 86291871
US10172859, Example 35
CID 86291872
US10172859, Example 31
CID 86291873
US10172859, Example 39
CID 86292072
(2-Chloro-4-fluoro-5-(7-morpholinoquinazolin-4-YL)phenyl)(6-chloropyridazin-3-YL)methanol
CID 86292073
US10172859, Example 42
CID 86292074
US10172859, Example 29
CID 86292263
US10172859, Example 27
CID 86292264

Frequently Asked Questions

What is the IUPAC name of (6-chloropyridazin-3-yl)-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The IUPAC name of (6-chloropyridazin-3-yl)-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (CID 118954910) is (6-chloropyridazin-3-yl)-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.
What is the SMILES notation for (6-chloropyridazin-3-yl)-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The canonical SMILES for (6-chloropyridazin-3-yl)-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is OC(c1ccc(Cl)nn1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1F.
What is the InChIKey of (6-chloropyridazin-3-yl)-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The InChIKey is RYTVQFQGZIKYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N5O2/c24-21-4-3-19(29-30-21)23(32)16-10-15(17(25)11-18(16)26)22-14-2-1-13(9-20(14)27-12-28-22)31-5-7-33-8-6-31/h1-4,9-12,23,32H,5-8H2.
What are the key properties of (6-chloropyridazin-3-yl)-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
(6-chloropyridazin-3-yl)-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol has a molecular weight of 469.88 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyridazin-3-yl)-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is sourced from PubChem (CID 118954910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).