N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide

C23H16ClN5OS — CID 43968287

IUPACN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
SMILESCc1cc(Cl)cc2sc(N(Cc3cccnc3)C(=O)c3ccc4nccnc4c3)nc12
InChIInChI=1S/C23H16ClN5OS/c1-14-9-17(24)11-20-21(14)28-23(31-20)29(13-15-3-2-6-25-12-15)22(30)16-4-5-18-19(10-16)27-8-7-26-18/h2-12H,13H2,1H3
InChIKeyWCVPIUQIGCBWEO-UHFFFAOYSA-N
MW445.94 g/mol
LogP5.44
Rot. Bonds4

About N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide (PubChem CID 43968287) has the molecular formula C23H16ClN5OS and a molecular weight of 445.94 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
PubChem CID43968287
Molecular FormulaC23H16ClN5OS
Molecular Weight445.94 g/mol
Exact Mass445.08
IUPAC NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
SMILESCc1cc(Cl)cc2sc(N(Cc3cccnc3)C(=O)c3ccc4nccnc4c3)nc12
InChIInChI=1S/C23H16ClN5OS/c1-14-9-17(24)11-20-21(14)28-23(31-20)29(13-15-3-2-6-25-12-15)22(30)16-4-5-18-19(10-16)27-8-7-26-18/h2-12H,13H2,1H3
InChIKeyWCVPIUQIGCBWEO-UHFFFAOYSA-N
XLogP5.44
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.94
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 43968301
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 41319502
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 41319505
3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40694363
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 41319477
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 41319443
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
CID 43967548
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 43968285
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 40508327
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 43968305
4-tert-butyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40995908
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)acetamide
CID 41319496

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide (CID 43968287) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide is Cc1cc(Cl)cc2sc(N(Cc3cccnc3)C(=O)c3ccc4nccnc4c3)nc12.
What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide?
The InChIKey is WCVPIUQIGCBWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5OS/c1-14-9-17(24)11-20-21(14)28-23(31-20)29(13-15-3-2-6-25-12-15)22(30)16-4-5-18-19(10-16)27-8-7-26-18/h2-12H,13H2,1H3.
What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide?
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide has a molecular weight of 445.94 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 43968287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).