N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide

C26H20F3N5O2 — CID 89444097

IUPACN-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCNCC4)nc3c2)c1F)c1cccc(F)c1
InChIInChI=1S/C26H20F3N5O2/c27-17-3-1-2-16(12-17)26(36)33-20-7-5-18(28)23(24(20)29)25(35)15-4-6-19-21(13-15)32-22(14-31-19)34-10-8-30-9-11-34/h1-7,12-14,30H,8-11H2,(H,33,36)
InChIKeyWWLRHWFNSJJUOT-UHFFFAOYSA-N
MW491.47 g/mol
LogP3.94
Rot. Bonds5

About N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide

N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide (PubChem CID 89444097) has the molecular formula C26H20F3N5O2 and a molecular weight of 491.47 g/mol. Its IUPAC name is N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide
PubChem CID89444097
Molecular FormulaC26H20F3N5O2
Molecular Weight491.47 g/mol
Exact Mass491.16
IUPAC NameN-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCNCC4)nc3c2)c1F)c1cccc(F)c1
InChIInChI=1S/C26H20F3N5O2/c27-17-3-1-2-16(12-17)26(36)33-20-7-5-18(28)23(24(20)29)25(35)15-4-6-19-21(13-15)32-22(14-31-19)34-10-8-30-9-11-34/h1-7,12-14,30H,8-11H2,(H,33,36)
InChIKeyWWLRHWFNSJJUOT-UHFFFAOYSA-N
XLogP3.94
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-difluoro-N-[2-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443742
4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443751
N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 172754016
N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide
CID 89445006
(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
3-chloro-N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-fluorobenzamide
CID 158536189
N-[2,4-difluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide
CID 71538187
N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide
CID 89443323
3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443919
1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea
CID 89443748
3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide?
The IUPAC name of N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide (CID 89444097) is N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide is O=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCNCC4)nc3c2)c1F)c1cccc(F)c1.
What is the InChIKey of N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide?
The InChIKey is WWLRHWFNSJJUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5O2/c27-17-3-1-2-16(12-17)26(36)33-20-7-5-18(28)23(24(20)29)25(35)15-4-6-19-21(13-15)32-22(14-31-19)34-10-8-30-9-11-34/h1-7,12-14,30H,8-11H2,(H,33,36).
What are the key properties of N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide?
N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide has a molecular weight of 491.47 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide is sourced from PubChem (CID 89444097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).