(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide

C20H15N3OS — CID 24623803

IUPAC(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide
SMILESCc1nc2ccc(NC(=O)/C=C/c3cccc4cccnc34)cc2s1
InChIInChI=1S/C20H15N3OS/c1-13-22-17-9-8-16(12-18(17)25-13)23-19(24)10-7-15-5-2-4-14-6-3-11-21-20(14)15/h2-12H,1H3,(H,23,24)/b10-7+
InChIKeyJUBPCSMESZODRK-JXMROGBWSA-N
MW345.43 g/mol
LogP4.80
Rot. Bonds3

About (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide

(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide (PubChem CID 24623803) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide
PubChem CID24623803
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide
SMILESCc1nc2ccc(NC(=O)/C=C/c3cccc4cccnc34)cc2s1
InChIInChI=1S/C20H15N3OS/c1-13-22-17-9-8-16(12-18(17)25-13)23-19(24)10-7-15-5-2-4-14-6-3-11-21-20(14)15/h2-12H,1H3,(H,23,24)/b10-7+
InChIKeyJUBPCSMESZODRK-JXMROGBWSA-N
XLogP4.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51333826
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 55510584
(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide
CID 24616881
(E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide
CID 6214246
(E)-N-(1,3-benzodioxol-5-yl)-3-quinolin-8-ylprop-2-enamide
CID 51333506
(E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 110883145
methyl 4-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzoate
CID 24623415
N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 18152898
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 51333611
(E)-N-[2-chloro-5-(propanoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 94092976
(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide
CID 18152924
(E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 51335179

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide (CID 24623803) is (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide is Cc1nc2ccc(NC(=O)/C=C/c3cccc4cccnc34)cc2s1.
What is the InChIKey of (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide?
The InChIKey is JUBPCSMESZODRK-JXMROGBWSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-13-22-17-9-8-16(12-18(17)25-13)23-19(24)10-7-15-5-2-4-14-6-3-11-21-20(14)15/h2-12H,1H3,(H,23,24)/b10-7+.
What are the key properties of (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide?
(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide has a molecular weight of 345.43 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 24623803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).