N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-2-carboxamide

C24H19N5O2S — CID 43987472

IUPACN-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-2-carboxamide
SMILESCOc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3cnc4ccccc4n3)nc12
InChIInChI=1S/C24H19N5O2S/c1-15-10-11-20(31-2)21-22(15)32-24(28-21)29(14-16-7-5-6-12-25-16)23(30)19-13-26-17-8-3-4-9-18(17)27-19/h3-13H,14H2,1-2H3
InChIKeyBAPFHMHHAXZGPS-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.80
Rot. Bonds5

About N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-2-carboxamide

N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-2-carboxamide (PubChem CID 43987472) has the molecular formula C24H19N5O2S and a molecular weight of 441.52 g/mol. Its IUPAC name is N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-2-carboxamide
PubChem CID43987472
Molecular FormulaC24H19N5O2S
Molecular Weight441.52 g/mol
Exact Mass441.13
IUPAC NameN-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-2-carboxamide
SMILESCOc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3cnc4ccccc4n3)nc12
InChIInChI=1S/C24H19N5O2S/c1-15-10-11-20(31-2)21-22(15)32-24(28-21)29(14-16-7-5-6-12-25-16)23(30)19-13-26-17-8-3-4-9-18(17)27-19/h3-13H,14H2,1-2H3
InChIKeyBAPFHMHHAXZGPS-UHFFFAOYSA-N
XLogP4.80
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide
CID 18577407
5-bromo-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 18582207
2-ethylsulfanyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41047599
2-ethyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 42111294
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide
CID 43987452
3-fluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 40519412
3,4-difluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986008
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 41343122
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41056473
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-nitro-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 41056445
2-(1,3-benzodioxol-5-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41108329
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16831138

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-2-carboxamide (CID 43987472) is N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-2-carboxamide is COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3cnc4ccccc4n3)nc12.
What is the InChIKey of N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-2-carboxamide?
The InChIKey is BAPFHMHHAXZGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S/c1-15-10-11-20(31-2)21-22(15)32-24(28-21)29(14-16-7-5-6-12-25-16)23(30)19-13-26-17-8-3-4-9-18(17)27-19/h3-13H,14H2,1-2H3.
What are the key properties of N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-2-carboxamide?
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-2-carboxamide has a molecular weight of 441.52 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 43987472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).