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

C19H14FN3OS — CID 108789697

IUPAC6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cc(C)nc4ccc(F)cc34)sc2c1
InChIInChI=1S/C19H14FN3OS/c1-10-3-5-16-17(7-10)25-19(22-16)23-18(24)14-8-11(2)21-15-6-4-12(20)9-13(14)15/h3-9H,1-2H3,(H,22,23,24)
InChIKeyNQYCIITVUAKNLV-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.85
Rot. Bonds2

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

6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide (PubChem CID 108789697) has the molecular formula C19H14FN3OS and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
PubChem CID108789697
Molecular FormulaC19H14FN3OS
Molecular Weight351.41 g/mol
Exact Mass351.08
IUPAC Name6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cc(C)nc4ccc(F)cc34)sc2c1
InChIInChI=1S/C19H14FN3OS/c1-10-3-5-16-17(7-10)25-19(22-16)23-18(24)14-8-11(2)21-15-6-4-12(20)9-13(14)15/h3-9H,1-2H3,(H,22,23,24)
InChIKeyNQYCIITVUAKNLV-UHFFFAOYSA-N
XLogP4.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide
CID 108811202
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
6-fluoro-2-methyl-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732260
2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701477
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 3252476
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 51336725
6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 108802513
N-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide
CID 108789682
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959
6-fluoro-2-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732250
2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103687616

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide (CID 108789697) is 6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide is Cc1ccc2nc(NC(=O)c3cc(C)nc4ccc(F)cc34)sc2c1.
What is the InChIKey of 6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is NQYCIITVUAKNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS/c1-10-3-5-16-17(7-10)25-19(22-16)23-18(24)14-8-11(2)21-15-6-4-12(20)9-13(14)15/h3-9H,1-2H3,(H,22,23,24).
What are the key properties of 6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 108789697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).