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

C24H21ClFN5O3 — CID 118966363

IUPAC[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methoxypyridazin-4-yl)methanol
SMILESCOc1nnccc1C(O)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl
InChIInChI=1S/C24H21ClFN5O3/c1-33-24-16(4-5-29-30-24)23(32)17-11-18(20(26)12-19(17)25)22-15-3-2-14(10-21(15)27-13-28-22)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
InChIKeyNYDMCEVKGDKDIY-UHFFFAOYSA-N
MW481.92 g/mol
LogP3.81
Rot. Bonds5

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

[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methoxypyridazin-4-yl)methanol (PubChem CID 118966363) has the molecular formula C24H21ClFN5O3 and a molecular weight of 481.92 g/mol. Its IUPAC name is [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methoxypyridazin-4-yl)methanol.

Molecular Properties

Compound Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methoxypyridazin-4-yl)methanol
PubChem CID118966363
Molecular FormulaC24H21ClFN5O3
Molecular Weight481.92 g/mol
Exact Mass481.13
IUPAC Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methoxypyridazin-4-yl)methanol
SMILESCOc1nnccc1C(O)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl
InChIInChI=1S/C24H21ClFN5O3/c1-33-24-16(4-5-29-30-24)23(32)17-11-18(20(26)12-19(17)25)22-15-3-2-14(10-21(15)27-13-28-22)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
InChIKeyNYDMCEVKGDKDIY-UHFFFAOYSA-N
XLogP3.81
TPSA93.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.92
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-(3-methoxypyridazin-4-yl)methanol?
The IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methoxypyridazin-4-yl)methanol (CID 118966363) is [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methoxypyridazin-4-yl)methanol.
What is the SMILES notation for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methoxypyridazin-4-yl)methanol?
The canonical SMILES for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methoxypyridazin-4-yl)methanol is COc1nnccc1C(O)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl.
What is the InChIKey of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methoxypyridazin-4-yl)methanol?
The InChIKey is NYDMCEVKGDKDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O3/c1-33-24-16(4-5-29-30-24)23(32)17-11-18(20(26)12-19(17)25)22-15-3-2-14(10-21(15)27-13-28-22)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3.
What are the key properties of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methoxypyridazin-4-yl)methanol?
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methoxypyridazin-4-yl)methanol has a molecular weight of 481.92 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methoxypyridazin-4-yl)methanol is sourced from PubChem (CID 118966363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).