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N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide

C23H19FN4O2S — CID 36541524

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(C)nc4ccc(C)cc34)n2)c(F)c1
InChIInChI=1S/C23H19FN4O2S/c1-12-4-7-20-17(8-12)18(9-13(2)25-20)22(30)28-23-27-21(11-31-23)16-6-5-15(10-19(16)24)26-14(3)29/h4-11H,1-3H3,(H,26,29)(H,27,28,30)
InChIKeyILSQHSIXMFTOBP-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.32
Rot. Bonds4

About N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide

N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide (PubChem CID 36541524) has the molecular formula C23H19FN4O2S and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide
PubChem CID36541524
Molecular FormulaC23H19FN4O2S
Molecular Weight434.50 g/mol
Exact Mass434.12
IUPAC NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(C)nc4ccc(C)cc34)n2)c(F)c1
InChIInChI=1S/C23H19FN4O2S/c1-12-4-7-20-17(8-12)18(9-13(2)25-20)22(30)28-23-27-21(11-31-23)16-6-5-15(10-19(16)24)26-14(3)29/h4-11H,1-3H3,(H,26,29)(H,27,28,30)
InChIKeyILSQHSIXMFTOBP-UHFFFAOYSA-N
XLogP5.32
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide (CID 36541524) is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide is CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(C)nc4ccc(C)cc34)n2)c(F)c1.
What is the InChIKey of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide?
The InChIKey is ILSQHSIXMFTOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2S/c1-12-4-7-20-17(8-12)18(9-13(2)25-20)22(30)28-23-27-21(11-31-23)16-6-5-15(10-19(16)24)26-14(3)29/h4-11H,1-3H3,(H,26,29)(H,27,28,30).
What are the key properties of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide?
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 36541524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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