7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide

C21H17FN4OS — CID 55851954

IUPAC7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide
SMILESCc1nc2cc(F)cc(C(=O)Nc3nc(C)c(-c4ccccc4)s3)c2nc1C
InChIInChI=1S/C21H17FN4OS/c1-11-12(2)24-18-16(9-15(22)10-17(18)23-11)20(27)26-21-25-13(3)19(28-21)14-7-5-4-6-8-14/h4-10H,1-3H3,(H,25,26,27)
InChIKeyRCKPLWWHANHSLL-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.07
Rot. Bonds3

About 7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide

7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide (PubChem CID 55851954) has the molecular formula C21H17FN4OS and a molecular weight of 392.46 g/mol. Its IUPAC name is 7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide.

Molecular Properties

Compound Name7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide
PubChem CID55851954
Molecular FormulaC21H17FN4OS
Molecular Weight392.46 g/mol
Exact Mass392.11
IUPAC Name7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide
SMILESCc1nc2cc(F)cc(C(=O)Nc3nc(C)c(-c4ccccc4)s3)c2nc1C
InChIInChI=1S/C21H17FN4OS/c1-11-12(2)24-18-16(9-15(22)10-17(18)23-11)20(27)26-21-25-13(3)19(28-21)14-7-5-4-6-8-14/h4-10H,1-3H3,(H,25,26,27)
InChIKeyRCKPLWWHANHSLL-UHFFFAOYSA-N
XLogP5.07
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide
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CID 134348775
2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide
CID 42957088
4-(methoxymethyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
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N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide?
The IUPAC name of 7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide (CID 55851954) is 7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide.
What is the SMILES notation for 7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide?
The canonical SMILES for 7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide is Cc1nc2cc(F)cc(C(=O)Nc3nc(C)c(-c4ccccc4)s3)c2nc1C.
What is the InChIKey of 7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide?
The InChIKey is RCKPLWWHANHSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4OS/c1-11-12(2)24-18-16(9-15(22)10-17(18)23-11)20(27)26-21-25-13(3)19(28-21)14-7-5-4-6-8-14/h4-10H,1-3H3,(H,25,26,27).
What are the key properties of 7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide?
7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide is sourced from PubChem (CID 55851954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).