N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide

C23H13Cl2N3OS — CID 4181016

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C23H13Cl2N3OS/c24-14-7-5-13(6-8-14)20-12-17(16-3-1-2-4-18(16)26-20)22(29)28-23-27-19-10-9-15(25)11-21(19)30-23/h1-12H,(H,27,28,29)
InChIKeyRVDPHPFABWHPRH-UHFFFAOYSA-N
MW450.35 g/mol
LogP7.07
Rot. Bonds3

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide (PubChem CID 4181016) has the molecular formula C23H13Cl2N3OS and a molecular weight of 450.35 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide
PubChem CID4181016
Molecular FormulaC23H13Cl2N3OS
Molecular Weight450.35 g/mol
Exact Mass449.02
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C23H13Cl2N3OS/c24-14-7-5-13(6-8-14)20-12-17(16-3-1-2-4-18(16)26-20)22(29)28-23-27-19-10-9-15(25)11-21(19)30-23/h1-12H,(H,27,28,29)
InChIKeyRVDPHPFABWHPRH-UHFFFAOYSA-N
XLogP7.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.35
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]quinoline-4-carboxamide
CID 2378725
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4167956
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 3252476
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
2-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 5176488
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4155578
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide
CID 50765778
2-(4-methylphenyl)-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 2388075

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide (CID 4181016) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide?
The InChIKey is RVDPHPFABWHPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl2N3OS/c24-14-7-5-13(6-8-14)20-12-17(16-3-1-2-4-18(16)26-20)22(29)28-23-27-19-10-9-15(25)11-21(19)30-23/h1-12H,(H,27,28,29).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide has a molecular weight of 450.35 g/mol, XLogP of 7.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4181016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).