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

C26H22FN5O2 — CID 172754016

IUPACN-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCNCC4)nc3c2)c1)c1ccccc1
InChIInChI=1S/C26H22FN5O2/c27-21-8-7-19(30-26(34)17-4-2-1-3-5-17)15-20(21)25(33)18-6-9-22-23(14-18)31-24(16-29-22)32-12-10-28-11-13-32/h1-9,14-16,28H,10-13H2,(H,30,34)
InChIKeyKTOHJTXPUVFSJX-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.66
Rot. Bonds5

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

N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide (PubChem CID 172754016) has the molecular formula C26H22FN5O2 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
PubChem CID172754016
Molecular FormulaC26H22FN5O2
Molecular Weight455.49 g/mol
Exact Mass455.18
IUPAC NameN-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCNCC4)nc3c2)c1)c1ccccc1
InChIInChI=1S/C26H22FN5O2/c27-21-8-7-19(30-26(34)17-4-2-1-3-5-17)15-20(21)25(33)18-6-9-22-23(14-18)31-24(16-29-22)32-12-10-28-11-13-32/h1-9,14-16,28H,10-13H2,(H,30,34)
InChIKeyKTOHJTXPUVFSJX-UHFFFAOYSA-N
XLogP3.66
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443751
3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443919
3,4-difluoro-N-[2-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443742
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
1-(4-fluorophenyl)-3-[3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea
CID 89443737
N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 174911369
N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide
CID 89444097
4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide
CID 89443461
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
(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 N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The IUPAC name of N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide (CID 172754016) is N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide.
What is the SMILES notation for N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The canonical SMILES for N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide is O=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCNCC4)nc3c2)c1)c1ccccc1.
What is the InChIKey of N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The InChIKey is KTOHJTXPUVFSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2/c27-21-8-7-19(30-26(34)17-4-2-1-3-5-17)15-20(21)25(33)18-6-9-22-23(14-18)31-24(16-29-22)32-12-10-28-11-13-32/h1-9,14-16,28H,10-13H2,(H,30,34).
What are the key properties of N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide?
N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide has a molecular weight of 455.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide is sourced from PubChem (CID 172754016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).