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

C22H14ClN5OS — CID 43967669

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide
SMILESO=C(c1cnc2ccccc2n1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C22H14ClN5OS/c23-15-7-8-18-20(10-15)30-22(27-18)28(13-14-4-3-9-24-11-14)21(29)19-12-25-16-5-1-2-6-17(16)26-19/h1-12H,13H2
InChIKeyYQCJKAASWCJAGY-UHFFFAOYSA-N
MW431.91 g/mol
LogP5.13
Rot. Bonds4

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

N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide (PubChem CID 43967669) has the molecular formula C22H14ClN5OS and a molecular weight of 431.91 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide
PubChem CID43967669
Molecular FormulaC22H14ClN5OS
Molecular Weight431.91 g/mol
Exact Mass431.06
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide
SMILESO=C(c1cnc2ccccc2n1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C22H14ClN5OS/c23-15-7-8-18-20(10-15)30-22(27-18)28(13-14-4-3-9-24-11-14)21(29)19-12-25-16-5-1-2-6-17(16)26-19/h1-12H,13H2
InChIKeyYQCJKAASWCJAGY-UHFFFAOYSA-N
XLogP5.13
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.91
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide
CID 43967968
N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)benzamide
CID 40983165
N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 43967066
N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 18572499
methyl 4-[(6-chloro-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)carbamoyl]benzoate
CID 40983140
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 41319050
N-(6-chloro-1,3-benzothiazol-2-yl)-3-oxo-N-(pyridin-3-ylmethyl)benzo[f]chromene-2-carboxamide
CID 40983142
N-(6-chloro-1,3-benzothiazol-2-yl)-3-pentoxy-N-(pyridin-3-ylmethyl)benzamide
CID 40983145
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 41319070
2,5-dichloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 40983272
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966767
5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 43966998

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide (CID 43967669) is N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide is O=C(c1cnc2ccccc2n1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide?
The InChIKey is YQCJKAASWCJAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN5OS/c23-15-7-8-18-20(10-15)30-22(27-18)28(13-14-4-3-9-24-11-14)21(29)19-12-25-16-5-1-2-6-17(16)26-19/h1-12H,13H2.
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide has a molecular weight of 431.91 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 43967669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).