N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide

C23H26FN5O3S — CID 55876152

IUPACN-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc(F)cc4nc(C)c(C)nc34)cc2)CC1
InChIInChI=1S/C23H26FN5O3S/c1-4-28-9-11-29(12-10-28)33(31,32)19-7-5-18(6-8-19)27-23(30)20-13-17(24)14-21-22(20)26-16(3)15(2)25-21/h5-8,13-14H,4,9-12H2,1-3H3,(H,27,30)
InChIKeyYIUKVDMOMKGIBO-UHFFFAOYSA-N
MW471.56 g/mol
LogP2.96
Rot. Bonds5

About N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide

N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide (PubChem CID 55876152) has the molecular formula C23H26FN5O3S and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide
PubChem CID55876152
Molecular FormulaC23H26FN5O3S
Molecular Weight471.56 g/mol
Exact Mass471.17
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc(F)cc4nc(C)c(C)nc34)cc2)CC1
InChIInChI=1S/C23H26FN5O3S/c1-4-28-9-11-29(12-10-28)33(31,32)19-7-5-18(6-8-19)27-23(30)20-13-17(24)14-21-22(20)26-16(3)15(2)25-21/h5-8,13-14H,4,9-12H2,1-3H3,(H,27,30)
InChIKeyYIUKVDMOMKGIBO-UHFFFAOYSA-N
XLogP2.96
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-fluoro-2,3-dimethyl-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoxaline-5-carboxamide
CID 51966474
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686688
7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide
CID 55877092
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide
CID 55668651
3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
CID 109064326
6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
CID 108802533
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide
CID 55596310
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46815982
N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
CID 62149446
3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 9415065
7-fluoro-2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-5-carboxamide
CID 55883807
N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55375941

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide (CID 55876152) is N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide is CCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc(F)cc4nc(C)c(C)nc34)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide?
The InChIKey is YIUKVDMOMKGIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3S/c1-4-28-9-11-29(12-10-28)33(31,32)19-7-5-18(6-8-19)27-23(30)20-13-17(24)14-21-22(20)26-16(3)15(2)25-21/h5-8,13-14H,4,9-12H2,1-3H3,(H,27,30).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide is sourced from PubChem (CID 55876152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).