N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide

C23H14FN3OS — CID 3252476

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1nc2ccc(F)cc2s1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H14FN3OS/c24-15-10-11-19-21(12-15)29-23(26-19)27-22(28)17-13-20(14-6-2-1-3-7-14)25-18-9-5-4-8-16(17)18/h1-13H,(H,26,27,28)
InChIKeyPFRPNOSLFRMTPZ-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.90
Rot. Bonds3

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide (PubChem CID 3252476) has the molecular formula C23H14FN3OS and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
PubChem CID3252476
Molecular FormulaC23H14FN3OS
Molecular Weight399.45 g/mol
Exact Mass399.08
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1nc2ccc(F)cc2s1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H14FN3OS/c24-15-10-11-19-21(12-15)29-23(26-19)27-22(28)17-13-20(14-6-2-1-3-7-14)25-18-9-5-4-8-16(17)18/h1-13H,(H,26,27,28)
InChIKeyPFRPNOSLFRMTPZ-UHFFFAOYSA-N
XLogP5.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 4181016
N-(2-acetamido-1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 46328665
N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide
CID 50765778
2-(4-chlorophenyl)-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]quinoline-4-carboxamide
CID 2378725
2-(4-methylphenyl)-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 2388075
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4155578
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 4609567
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2322249
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4167956
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4625982
6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 108789697
2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide
CID 17497675

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide (CID 3252476) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide is O=C(Nc1nc2ccc(F)cc2s1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The InChIKey is PFRPNOSLFRMTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN3OS/c24-15-10-11-19-21(12-15)29-23(26-19)27-22(28)17-13-20(14-6-2-1-3-7-14)25-18-9-5-4-8-16(17)18/h1-13H,(H,26,27,28).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 3252476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).