N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide

C26H18ClF3N4O3 — CID 89445006

IUPACN-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1F)c1ccc(F)c(F)c1
InChIInChI=1S/C26H18ClF3N4O3/c27-16-3-6-20(33-26(36)15-1-4-17(28)18(29)11-15)24(30)23(16)25(35)14-2-5-19-21(12-14)32-22(13-31-19)34-7-9-37-10-8-34/h1-6,11-13H,7-10H2,(H,33,36)
InChIKeyZIWDCNRMOBZOSZ-UHFFFAOYSA-N
MW526.90 g/mol
LogP5.02
Rot. Bonds5

About N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide

N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide (PubChem CID 89445006) has the molecular formula C26H18ClF3N4O3 and a molecular weight of 526.90 g/mol. Its IUPAC name is N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide
PubChem CID89445006
Molecular FormulaC26H18ClF3N4O3
Molecular Weight526.90 g/mol
Exact Mass526.10
IUPAC NameN-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1F)c1ccc(F)c(F)c1
InChIInChI=1S/C26H18ClF3N4O3/c27-16-3-6-20(33-26(36)15-1-4-17(28)18(29)11-15)24(30)23(16)25(35)14-2-5-19-21(12-14)32-22(13-31-19)34-7-9-37-10-8-34/h1-6,11-13H,7-10H2,(H,33,36)
InChIKeyZIWDCNRMOBZOSZ-UHFFFAOYSA-N
XLogP5.02
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.90
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443057
4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89445010
3-chloro-N-[3,4-difluoro-5-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide
CID 89445214
N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide
CID 89444097
N-[2,4-difluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide
CID 71538187
3,4-difluoro-N-[2-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443742
1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea
CID 89443365
(2-fluoro-5-hydroxyphenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone
CID 89478345
bis(2-morpholin-4-ylquinoxalin-6-yl)methanone
CID 151491691
N-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide
CID 89444964
N-[4-chloro-2-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
CID 71537325
3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443919

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide (CID 89445006) is N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide is O=C(Nc1ccc(Cl)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1F)c1ccc(F)c(F)c1.
What is the InChIKey of N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide?
The InChIKey is ZIWDCNRMOBZOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF3N4O3/c27-16-3-6-20(33-26(36)15-1-4-17(28)18(29)11-15)24(30)23(16)25(35)14-2-5-19-21(12-14)32-22(13-31-19)34-7-9-37-10-8-34/h1-6,11-13H,7-10H2,(H,33,36).
What are the key properties of N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide?
N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide has a molecular weight of 526.90 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide is sourced from PubChem (CID 89445006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).