N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide

C22H15N3OS2 — CID 2316246

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1nc2ccc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)cc2s1
InChIInChI=1S/C22H15N3OS2/c1-13-23-18-9-8-14(11-21(18)28-13)24-22(26)16-12-19(20-7-4-10-27-20)25-17-6-3-2-5-15(16)17/h2-12H,1H3,(H,24,26)
InChIKeyOXPXYJMAIWHFFL-UHFFFAOYSA-N
MW401.52 g/mol
LogP6.13
Rot. Bonds3

About N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 2316246) has the molecular formula C22H15N3OS2 and a molecular weight of 401.52 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID2316246
Molecular FormulaC22H15N3OS2
Molecular Weight401.52 g/mol
Exact Mass401.07
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1nc2ccc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)cc2s1
InChIInChI=1S/C22H15N3OS2/c1-13-23-18-9-8-14(11-21(18)28-13)24-22(26)16-12-19(20-7-4-10-27-20)25-17-6-3-2-5-15(16)17/h2-12H,1H3,(H,24,26)
InChIKeyOXPXYJMAIWHFFL-UHFFFAOYSA-N
XLogP6.13
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.52
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-[4-nitro-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 3584085
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3368053
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55532752
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 4989292
N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2340923
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2444020
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 9145624

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 2316246) is N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide is Cc1nc2ccc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is OXPXYJMAIWHFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3OS2/c1-13-23-18-9-8-14(11-21(18)28-13)24-22(26)16-12-19(20-7-4-10-27-20)25-17-6-3-2-5-15(16)17/h2-12H,1H3,(H,24,26).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 401.52 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2316246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).