2-(furan-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide

C22H15N3O2S — CID 2334294

IUPAC2-(furan-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cc(-c4ccco4)nc4ccccc34)sc2c1
InChIInChI=1S/C22H15N3O2S/c1-13-8-9-17-20(11-13)28-22(24-17)25-21(26)15-12-18(19-7-4-10-27-19)23-16-6-3-2-5-14(15)16/h2-12H,1H3,(H,24,25,26)
InChIKeyHFANVMOYTWFOHU-UHFFFAOYSA-N
MW385.45 g/mol
LogP5.67
Rot. Bonds3

About 2-(furan-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide

2-(furan-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide (PubChem CID 2334294) has the molecular formula C22H15N3O2S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
PubChem CID2334294
Molecular FormulaC22H15N3O2S
Molecular Weight385.45 g/mol
Exact Mass385.09
IUPAC Name2-(furan-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cc(-c4ccco4)nc4ccccc34)sc2c1
InChIInChI=1S/C22H15N3O2S/c1-13-8-9-17-20(11-13)28-22(24-17)25-21(26)15-12-18(19-7-4-10-27-19)23-16-6-3-2-5-14(15)16/h2-12H,1H3,(H,24,25,26)
InChIKeyHFANVMOYTWFOHU-UHFFFAOYSA-N
XLogP5.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.45
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide (CID 2334294) is 2-(furan-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide is Cc1ccc2nc(NC(=O)c3cc(-c4ccco4)nc4ccccc34)sc2c1.
What is the InChIKey of 2-(furan-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is HFANVMOYTWFOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2S/c1-13-8-9-17-20(11-13)28-22(24-17)25-21(26)15-12-18(19-7-4-10-27-19)23-16-6-3-2-5-14(15)16/h2-12H,1H3,(H,24,25,26).
What are the key properties of 2-(furan-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
2-(furan-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2334294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).