ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine

C27H30FN5O2 — CID 144744804

IUPACethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine
SMILESCC.COc1ccc(C(C)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)nn1
InChIInChI=1S/C25H24FN5O2.C2H6/c1-16(22-7-8-24(32-2)30-29-22)17-3-6-21(26)20(13-17)25-19-5-4-18(14-23(19)27-15-28-25)31-9-11-33-12-10-31;1-2/h3-8,13-16H,9-12H2,1-2H3;1-2H3
InChIKeyWLEJADXPUGIBHM-UHFFFAOYSA-N
MW475.57 g/mol
LogP5.25
Rot. Bonds5

About ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine

ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine (PubChem CID 144744804) has the molecular formula C27H30FN5O2 and a molecular weight of 475.57 g/mol. Its IUPAC name is ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Nameethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine
PubChem CID144744804
Molecular FormulaC27H30FN5O2
Molecular Weight475.57 g/mol
Exact Mass475.24
IUPAC Nameethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine
SMILESCC.COc1ccc(C(C)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)nn1
InChIInChI=1S/C25H24FN5O2.C2H6/c1-16(22-7-8-24(32-2)30-29-22)17-3-6-21(26)20(13-17)25-19-5-4-18(14-23(19)27-15-28-25)31-9-11-33-12-10-31;1-2/h3-8,13-16H,9-12H2,1-2H3;1-2H3
InChIKeyWLEJADXPUGIBHM-UHFFFAOYSA-N
XLogP5.25
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.57
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine?
The IUPAC name of ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine (CID 144744804) is ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine.
What is the SMILES notation for ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine?
The canonical SMILES for ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine is CC.COc1ccc(C(C)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)nn1.
What is the InChIKey of ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine?
The InChIKey is WLEJADXPUGIBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2.C2H6/c1-16(22-7-8-24(32-2)30-29-22)17-3-6-21(26)20(13-17)25-19-5-4-18(14-23(19)27-15-28-25)31-9-11-33-12-10-31;1-2/h3-8,13-16H,9-12H2,1-2H3;1-2H3.
What are the key properties of ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine?
ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine has a molecular weight of 475.57 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 144744804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).