8-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoxalin-2-amine

C24H24FN7O — CID 11212977

IUPAC8-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoxalin-2-amine
SMILESC[C@@H](c1ccc(F)cc1)N1CCN(c2cc(Oc3cccc4ncc(N)nc34)ncn2)CC1
InChIInChI=1S/C24H24FN7O/c1-16(17-5-7-18(25)8-6-17)31-9-11-32(12-10-31)22-13-23(29-15-28-22)33-20-4-2-3-19-24(20)30-21(26)14-27-19/h2-8,13-16H,9-12H2,1H3,(H2,26,30)/t16-/m0/s1
InChIKeyCFQFFMPSCONHJO-INIZCTEOSA-N
MW445.50 g/mol
LogP3.82
Rot. Bonds5

About 8-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoxalin-2-amine

8-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoxalin-2-amine (PubChem CID 11212977) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is 8-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoxalin-2-amine.

Molecular Properties

Compound Name8-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoxalin-2-amine
PubChem CID11212977
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC Name8-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoxalin-2-amine
SMILESC[C@@H](c1ccc(F)cc1)N1CCN(c2cc(Oc3cccc4ncc(N)nc34)ncn2)CC1
InChIInChI=1S/C24H24FN7O/c1-16(17-5-7-18(25)8-6-17)31-9-11-32(12-10-31)22-13-23(29-15-28-22)33-20-4-2-3-19-24(20)30-21(26)14-27-19/h2-8,13-16H,9-12H2,1H3,(H2,26,30)/t16-/m0/s1
InChIKeyCFQFFMPSCONHJO-INIZCTEOSA-N
XLogP3.82
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoxalin-2-amine?
The IUPAC name of 8-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoxalin-2-amine (CID 11212977) is 8-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoxalin-2-amine.
What is the SMILES notation for 8-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoxalin-2-amine?
The canonical SMILES for 8-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoxalin-2-amine is C[C@@H](c1ccc(F)cc1)N1CCN(c2cc(Oc3cccc4ncc(N)nc34)ncn2)CC1.
What is the InChIKey of 8-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoxalin-2-amine?
The InChIKey is CFQFFMPSCONHJO-INIZCTEOSA-N. The full InChI is InChI=1S/C24H24FN7O/c1-16(17-5-7-18(25)8-6-17)31-9-11-32(12-10-31)22-13-23(29-15-28-22)33-20-4-2-3-19-24(20)30-21(26)14-27-19/h2-8,13-16H,9-12H2,1H3,(H2,26,30)/t16-/m0/s1.
What are the key properties of 8-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoxalin-2-amine?
8-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoxalin-2-amine has a molecular weight of 445.50 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoxalin-2-amine is sourced from PubChem (CID 11212977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).