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

C25H22ClFN4O3 — CID 164929903

IUPAC[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
SMILESCOc1ccc(C(O)c2cc(-c3ccnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)nn1
InChIInChI=1S/C25H22ClFN4O3/c1-33-24-5-4-22(29-30-24)25(32)19-13-18(21(27)14-20(19)26)16-6-7-28-23-12-15(2-3-17(16)23)31-8-10-34-11-9-31/h2-7,12-14,25,32H,8-11H2,1H3
InChIKeyXOPMNCJMVPKEDR-UHFFFAOYSA-N
MW480.93 g/mol
LogP4.41
Rot. Bonds5

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

[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol (PubChem CID 164929903) has the molecular formula C25H22ClFN4O3 and a molecular weight of 480.93 g/mol. Its IUPAC name is [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol.

Molecular Properties

Compound Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
PubChem CID164929903
Molecular FormulaC25H22ClFN4O3
Molecular Weight480.93 g/mol
Exact Mass480.14
IUPAC Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
SMILESCOc1ccc(C(O)c2cc(-c3ccnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)nn1
InChIInChI=1S/C25H22ClFN4O3/c1-33-24-5-4-22(29-30-24)25(32)19-13-18(21(27)14-20(19)26)16-6-7-28-23-12-15(2-3-17(16)23)31-8-10-34-11-9-31/h2-7,12-14,25,32H,8-11H2,1H3
InChIKeyXOPMNCJMVPKEDR-UHFFFAOYSA-N
XLogP4.41
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.93
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(S)-[5-(2-amino-7-morpholin-4-ylquinolin-4-yl)-2-chloro-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol
CID 164929889
(S)-[2-chloro-5-(8-chloro-7-morpholin-4-ylquinolin-4-yl)-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol
CID 164929961
[5-(2-amino-8-fluoro-7-morpholin-4-ylquinolin-4-yl)-2-chloro-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-5-(8-chloro-7-morpholin-4-ylquinolin-4-yl)-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-4-fluoro-5-(8-fluoro-7-morpholin-4-ylcinnolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-4-fluoro-5-(7-morpholin-4-ylcinnolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
CID 167579919
[2-chloro-5-(5,6-dideuterio-7-morpholin-4-ylquinazolin-4-yl)-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol
CID 118954836
methyl 2-[6-[[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridazin-3-yl]oxyacetate
CID 118954756
2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-2-(6-chloropyridazin-3-yl)acetonitrile
CID 164929917
(S)-[2-chloro-4-fluoro-5-(8-fluoro-7-morpholin-4-ylcinnolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
CID 164929910
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazin-2-ylmethanol
CID 118954905
5-fluoro-2-[hydroxy-(6-methoxypyridazin-3-yl)methyl]-4-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol
CID 137315182
[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol
CID 144744962
ethane;[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol
CID 144744961
6-[[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-2-(2-hydroxyethyl)pyridazin-3-one
CID 118954862

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol?
The IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol (CID 164929903) is [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol.
What is the SMILES notation for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol?
The canonical SMILES for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol is COc1ccc(C(O)c2cc(-c3ccnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)nn1.
What is the InChIKey of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol?
The InChIKey is XOPMNCJMVPKEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN4O3/c1-33-24-5-4-22(29-30-24)25(32)19-13-18(21(27)14-20(19)26)16-6-7-28-23-12-15(2-3-17(16)23)31-8-10-34-11-9-31/h2-7,12-14,25,32H,8-11H2,1H3.
What are the key properties of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol?
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol has a molecular weight of 480.93 g/mol, XLogP of 4.41, 5 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-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol is sourced from PubChem (CID 164929903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).