2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide

C23H19N3OS — CID 1291751

IUPAC2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H19N3OS/c27-22(26-23-25-19-12-6-7-13-21(19)28-23)17-14-20(15-8-2-1-3-9-15)24-18-11-5-4-10-16(17)18/h1-5,8-11,14H,6-7,12-13H2,(H,25,26,27)
InChIKeyXMWLVEYNTBHDOP-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.49
Rot. Bonds3

About 2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide

2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide (PubChem CID 1291751) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
PubChem CID1291751
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC Name2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H19N3OS/c27-22(26-23-25-19-12-6-7-13-21(19)28-23)17-14-20(15-8-2-1-3-9-15)24-18-11-5-4-10-16(17)18/h1-5,8-11,14H,6-7,12-13H2,(H,25,26,27)
InChIKeyXMWLVEYNTBHDOP-UHFFFAOYSA-N
XLogP5.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide (CID 1291751) is 2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1nc2c(s1)CCCC2)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is XMWLVEYNTBHDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c27-22(26-23-25-19-12-6-7-13-21(19)28-23)17-14-20(15-8-2-1-3-9-15)24-18-11-5-4-10-16(17)18/h1-5,8-11,14H,6-7,12-13H2,(H,25,26,27).
What are the key properties of 2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1291751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).