4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide

C26H21F2N5O2 — CID 89443751

IUPAC4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCNCC4)nc3c2)c1)c1ccc(F)cc1
InChIInChI=1S/C26H21F2N5O2/c27-18-4-1-16(2-5-18)26(35)31-19-6-7-21(28)20(14-19)25(34)17-3-8-22-23(13-17)32-24(15-30-22)33-11-9-29-10-12-33/h1-8,13-15,29H,9-12H2,(H,31,35)
InChIKeyYCSZUIORNOQWIT-UHFFFAOYSA-N
MW473.48 g/mol
LogP3.80
Rot. Bonds5

About 4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide

4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide (PubChem CID 89443751) has the molecular formula C26H21F2N5O2 and a molecular weight of 473.48 g/mol. Its IUPAC name is 4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
PubChem CID89443751
Molecular FormulaC26H21F2N5O2
Molecular Weight473.48 g/mol
Exact Mass473.17
IUPAC Name4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCNCC4)nc3c2)c1)c1ccc(F)cc1
InChIInChI=1S/C26H21F2N5O2/c27-18-4-1-16(2-5-18)26(35)31-19-6-7-21(28)20(14-19)25(34)17-3-8-22-23(13-17)32-24(15-30-22)33-11-9-29-10-12-33/h1-8,13-15,29H,9-12H2,(H,31,35)
InChIKeyYCSZUIORNOQWIT-UHFFFAOYSA-N
XLogP3.80
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 172754016
3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443919
1-(4-fluorophenyl)-3-[3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea
CID 89443737
4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443057
(2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone
CID 71547456
3,4-difluoro-N-[2-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443742
4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide
CID 89443461
N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide
CID 89444097
3-chloro-N-[3,4-difluoro-5-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide
CID 89445214
(2-fluoro-5-hydroxyphenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone
CID 89478345
N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 174911369
(5-amino-2-fluorophenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone;(5-amino-2-fluorophenyl)-(3-piperidin-1-ylquinoxalin-6-yl)methanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane
CID 159281143

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide (CID 89443751) is 4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide is O=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCNCC4)nc3c2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The InChIKey is YCSZUIORNOQWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O2/c27-18-4-1-16(2-5-18)26(35)31-19-6-7-21(28)20(14-19)25(34)17-3-8-22-23(13-17)32-24(15-30-22)33-11-9-29-10-12-33/h1-8,13-15,29H,9-12H2,(H,31,35).
What are the key properties of 4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide?
4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide has a molecular weight of 473.48 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide is sourced from PubChem (CID 89443751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).