4-[4-[4-chloro-2-fluoro-5-[1-(6-methoxypyridazin-3-yl)cyclopropyl]phenyl]quinazolin-7-yl]morpholine

C26H23ClFN5O2 — CID 160810084

IUPAC4-[4-[4-chloro-2-fluoro-5-[1-(6-methoxypyridazin-3-yl)cyclopropyl]phenyl]quinazolin-7-yl]morpholine
SMILESCOc1ccc(C2(c3cc(-c4ncnc5cc(N6CCOCC6)ccc45)c(F)cc3Cl)CC2)nn1
InChIInChI=1S/C26H23ClFN5O2/c1-34-24-5-4-23(31-32-24)26(6-7-26)19-13-18(21(28)14-20(19)27)25-17-3-2-16(12-22(17)29-15-30-25)33-8-10-35-11-9-33/h2-5,12-15H,6-11H2,1H3
InChIKeySEEWMPGIDIHTDI-UHFFFAOYSA-N
MW491.95 g/mol
LogP4.80
Rot. Bonds5

About 4-[4-[4-chloro-2-fluoro-5-[1-(6-methoxypyridazin-3-yl)cyclopropyl]phenyl]quinazolin-7-yl]morpholine

4-[4-[4-chloro-2-fluoro-5-[1-(6-methoxypyridazin-3-yl)cyclopropyl]phenyl]quinazolin-7-yl]morpholine (PubChem CID 160810084) has the molecular formula C26H23ClFN5O2 and a molecular weight of 491.95 g/mol. Its IUPAC name is 4-[4-[4-chloro-2-fluoro-5-[1-(6-methoxypyridazin-3-yl)cyclopropyl]phenyl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[4-chloro-2-fluoro-5-[1-(6-methoxypyridazin-3-yl)cyclopropyl]phenyl]quinazolin-7-yl]morpholine
PubChem CID160810084
Molecular FormulaC26H23ClFN5O2
Molecular Weight491.95 g/mol
Exact Mass491.15
IUPAC Name4-[4-[4-chloro-2-fluoro-5-[1-(6-methoxypyridazin-3-yl)cyclopropyl]phenyl]quinazolin-7-yl]morpholine
SMILESCOc1ccc(C2(c3cc(-c4ncnc5cc(N6CCOCC6)ccc45)c(F)cc3Cl)CC2)nn1
InChIInChI=1S/C26H23ClFN5O2/c1-34-24-5-4-23(31-32-24)26(6-7-26)19-13-18(21(28)14-20(19)27)25-17-3-2-16(12-22(17)29-15-30-25)33-8-10-35-11-9-33/h2-5,12-15H,6-11H2,1H3
InChIKeySEEWMPGIDIHTDI-UHFFFAOYSA-N
XLogP4.80
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.95
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-[4-chloro-2-fluoro-5-[1-(6-methoxypyridazin-3-yl)cyclopropyl]phenyl]quinazolin-7-yl]morpholine with MolForge

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Related Compounds

Peposertib
CID 86292849
N-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxypyridazin-3-amine
CID 162220683
US10172859, Example 36
CID 86291871
(2-Chloro-4-fluoro-5-(7-morpholinoquinazolin-4-YL)phenyl)(6-chloropyridazin-3-YL)methanol
CID 86292073
US10172859, Example 74
CID 86292267
US10172859, Example 100
CID 86292655
US10172859, Example 119
CID 86292848
US10172859, Example 101
CID 86293039
US10172859, Example 7
CID 86294560
US10172859, Example 10
CID 86294564
US10172859, Example 122
CID 117696299
US10172859, Example 263
CID 117696333

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-chloro-2-fluoro-5-[1-(6-methoxypyridazin-3-yl)cyclopropyl]phenyl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-[4-chloro-2-fluoro-5-[1-(6-methoxypyridazin-3-yl)cyclopropyl]phenyl]quinazolin-7-yl]morpholine (CID 160810084) is 4-[4-[4-chloro-2-fluoro-5-[1-(6-methoxypyridazin-3-yl)cyclopropyl]phenyl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[4-chloro-2-fluoro-5-[1-(6-methoxypyridazin-3-yl)cyclopropyl]phenyl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-[4-chloro-2-fluoro-5-[1-(6-methoxypyridazin-3-yl)cyclopropyl]phenyl]quinazolin-7-yl]morpholine is COc1ccc(C2(c3cc(-c4ncnc5cc(N6CCOCC6)ccc45)c(F)cc3Cl)CC2)nn1.
What is the InChIKey of 4-[4-[4-chloro-2-fluoro-5-[1-(6-methoxypyridazin-3-yl)cyclopropyl]phenyl]quinazolin-7-yl]morpholine?
The InChIKey is SEEWMPGIDIHTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN5O2/c1-34-24-5-4-23(31-32-24)26(6-7-26)19-13-18(21(28)14-20(19)27)25-17-3-2-16(12-22(17)29-15-30-25)33-8-10-35-11-9-33/h2-5,12-15H,6-11H2,1H3.
What are the key properties of 4-[4-[4-chloro-2-fluoro-5-[1-(6-methoxypyridazin-3-yl)cyclopropyl]phenyl]quinazolin-7-yl]morpholine?
4-[4-[4-chloro-2-fluoro-5-[1-(6-methoxypyridazin-3-yl)cyclopropyl]phenyl]quinazolin-7-yl]morpholine has a molecular weight of 491.95 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-chloro-2-fluoro-5-[1-(6-methoxypyridazin-3-yl)cyclopropyl]phenyl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 160810084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).