2-[2-fluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]-1-morpholin-4-ylethanone

C31H32FN5O2 — CID 59392752

IUPAC2-[2-fluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]-1-morpholin-4-ylethanone
SMILESCN1CCN(c2ccc(-c3cnc4cccc(-c5ccc(CC(=O)N6CCOCC6)c(F)c5)c4n3)cc2)CC1
InChIInChI=1S/C31H32FN5O2/c1-35-11-13-36(14-12-35)25-9-7-22(8-10-25)29-21-33-28-4-2-3-26(31(28)34-29)23-5-6-24(27(32)19-23)20-30(38)37-15-17-39-18-16-37/h2-10,19,21H,11-18,20H2,1H3
InChIKeyWQFYKPRKOATFIF-UHFFFAOYSA-N
MW525.63 g/mol
LogP4.26
Rot. Bonds5

About 2-[2-fluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]-1-morpholin-4-ylethanone

2-[2-fluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]-1-morpholin-4-ylethanone (PubChem CID 59392752) has the molecular formula C31H32FN5O2 and a molecular weight of 525.63 g/mol. Its IUPAC name is 2-[2-fluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-fluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]-1-morpholin-4-ylethanone
PubChem CID59392752
Molecular FormulaC31H32FN5O2
Molecular Weight525.63 g/mol
Exact Mass525.25
IUPAC Name2-[2-fluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]-1-morpholin-4-ylethanone
SMILESCN1CCN(c2ccc(-c3cnc4cccc(-c5ccc(CC(=O)N6CCOCC6)c(F)c5)c4n3)cc2)CC1
InChIInChI=1S/C31H32FN5O2/c1-35-11-13-36(14-12-35)25-9-7-22(8-10-25)29-21-33-28-4-2-3-26(31(28)34-29)23-5-6-24(27(32)19-23)20-30(38)37-15-17-39-18-16-37/h2-10,19,21H,11-18,20H2,1H3
InChIKeyWQFYKPRKOATFIF-UHFFFAOYSA-N
XLogP4.26
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.63
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-fluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-morpholin-4-yl-2-[4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]ethanone
CID 59392811
[2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59392747
4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide
CID 59392667
[2-methyl-4-[8-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]phenyl]-morpholin-4-ylmethanone
CID 46885234
4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine
CID 167418484
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]ethanone
CID 25123472
[4-[3-(3,4-diethoxyphenyl)quinoxalin-5-yl]-2-fluorophenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 59392795
[2-fluoro-4-[3-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]quinoxalin-5-yl]phenyl]-thiomorpholin-4-ylmethanediol
CID 67540163
[4-[2-[3,5-dimethyl-4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-morpholin-4-ylmethanone
CID 146274685
[5-[4-(4-methylpiperazin-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone
CID 147820406
[4-[8-[4-[dihydroxy(thiomorpholin-4-yl)methyl]-3-methylphenyl]quinoxalin-2-yl]-2-methylphenyl]-(4-methylpiperazin-1-yl)methanone
CID 67541048
CID 90319937
CID 90319937

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-fluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]-1-morpholin-4-ylethanone (CID 59392752) is 2-[2-fluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-fluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-fluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]-1-morpholin-4-ylethanone is CN1CCN(c2ccc(-c3cnc4cccc(-c5ccc(CC(=O)N6CCOCC6)c(F)c5)c4n3)cc2)CC1.
What is the InChIKey of 2-[2-fluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]-1-morpholin-4-ylethanone?
The InChIKey is WQFYKPRKOATFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN5O2/c1-35-11-13-36(14-12-35)25-9-7-22(8-10-25)29-21-33-28-4-2-3-26(31(28)34-29)23-5-6-24(27(32)19-23)20-30(38)37-15-17-39-18-16-37/h2-10,19,21H,11-18,20H2,1H3.
What are the key properties of 2-[2-fluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]-1-morpholin-4-ylethanone?
2-[2-fluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]-1-morpholin-4-ylethanone has a molecular weight of 525.63 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 59392752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).