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

C23H18Cl2FN5O2 — CID 86292073

IUPAC[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-chloropyridazin-3-yl)methanol
SMILESOC(c1ccc(Cl)nn1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl
InChIInChI=1S/C23H18Cl2FN5O2/c24-17-11-18(26)16(10-15(17)23(32)19-3-4-21(25)30-29-19)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
InChIKeySXLLMNZBCYWXBH-UHFFFAOYSA-N
MW486.33 g/mol
LogP4.45
Rot. Bonds4

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

[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-chloropyridazin-3-yl)methanol (PubChem CID 86292073) has the molecular formula C23H18Cl2FN5O2 and a molecular weight of 486.33 g/mol. Its IUPAC name is [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-chloropyridazin-3-yl)methanol.

Molecular Properties

Compound Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-chloropyridazin-3-yl)methanol
PubChem CID86292073
Molecular FormulaC23H18Cl2FN5O2
Molecular Weight486.33 g/mol
Exact Mass485.08
IUPAC Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-chloropyridazin-3-yl)methanol
SMILESOC(c1ccc(Cl)nn1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl
InChIInChI=1S/C23H18Cl2FN5O2/c24-17-11-18(26)16(10-15(17)23(32)19-3-4-21(25)30-29-19)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
InChIKeySXLLMNZBCYWXBH-UHFFFAOYSA-N
XLogP4.45
TPSA84.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.33
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 86292849
CID 86292849
CID 160810084
CID 160810084
CID 86291668
CID 86291668
CID 86291868
CID 86291868
CID 86291871
CID 86291871
CID 86291872
CID 86291872
CID 86292072
CID 86292072
CID 86292074
CID 86292074
CID 86292263
CID 86292263
CID 86292264
CID 86292264
CID 86292265
CID 86292265
CID 86292266
CID 86292266

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-chloropyridazin-3-yl)methanol?
The IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-chloropyridazin-3-yl)methanol (CID 86292073) is [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-chloropyridazin-3-yl)methanol.
What is the SMILES notation for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-chloropyridazin-3-yl)methanol?
The canonical SMILES for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-chloropyridazin-3-yl)methanol is OC(c1ccc(Cl)nn1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl.
What is the InChIKey of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-chloropyridazin-3-yl)methanol?
The InChIKey is SXLLMNZBCYWXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2FN5O2/c24-17-11-18(26)16(10-15(17)23(32)19-3-4-21(25)30-29-19)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 [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-chloropyridazin-3-yl)methanol?
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-chloropyridazin-3-yl)methanol has a molecular weight of 486.33 g/mol, XLogP of 4.45, 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]-(6-chloropyridazin-3-yl)methanol is sourced from PubChem (CID 86292073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).