N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide

C23H17N5O2S — CID 43967548

IUPACN-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
SMILESCOc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccc4nccnc4c3)nc2c1
InChIInChI=1S/C23H17N5O2S/c1-30-17-5-7-21-20(12-17)27-23(31-21)28(14-15-3-2-8-24-13-15)22(29)16-4-6-18-19(11-16)26-10-9-25-18/h2-13H,14H2,1H3
InChIKeyQBXCUMGUUPWFOJ-UHFFFAOYSA-N
MW427.49 g/mol
LogP4.49
Rot. Bonds5

About N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide

N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide (PubChem CID 43967548) has the molecular formula C23H17N5O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
PubChem CID43967548
Molecular FormulaC23H17N5O2S
Molecular Weight427.49 g/mol
Exact Mass427.11
IUPAC NameN-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
SMILESCOc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccc4nccnc4c3)nc2c1
InChIInChI=1S/C23H17N5O2S/c1-30-17-5-7-21-20(12-17)27-23(31-21)28(14-15-3-2-8-24-13-15)22(29)16-4-6-18-19(11-16)26-10-9-25-18/h2-13H,14H2,1H3
InChIKeyQBXCUMGUUPWFOJ-UHFFFAOYSA-N
XLogP4.49
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40995717
N-(5-methoxy-1,3-benzothiazol-2-yl)-4-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 40995711
4-(diethylamino)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40982958
N-(6-ethyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 40508187
N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 18572499
2,4-difluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 43966878
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
CID 43968287
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 40982979
2,5-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 16849198
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 40508313
N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 41318961
2,3-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40996245

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide (CID 43967548) is N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide is COc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccc4nccnc4c3)nc2c1.
What is the InChIKey of N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide?
The InChIKey is QBXCUMGUUPWFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2S/c1-30-17-5-7-21-20(12-17)27-23(31-21)28(14-15-3-2-8-24-13-15)22(29)16-4-6-18-19(11-16)26-10-9-25-18/h2-13H,14H2,1H3.
What are the key properties of N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide?
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide has a molecular weight of 427.49 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 43967548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).