N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-2-carboxamide

C24H25N5O3S — CID 43997942

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-2-carboxamide
SMILESCCOc1cccc2sc(N(CCN3CCOCC3)C(=O)c3cnc4ccccc4n3)nc12
InChIInChI=1S/C24H25N5O3S/c1-2-32-20-8-5-9-21-22(20)27-24(33-21)29(11-10-28-12-14-31-15-13-28)23(30)19-16-25-17-6-3-4-7-18(17)26-19/h3-9,16H,2,10-15H2,1H3
InChIKeyBYLYAEVNWJSVRJ-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.62
Rot. Bonds7

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-2-carboxamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-2-carboxamide (PubChem CID 43997942) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-2-carboxamide
PubChem CID43997942
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-2-carboxamide
SMILESCCOc1cccc2sc(N(CCN3CCOCC3)C(=O)c3cnc4ccccc4n3)nc12
InChIInChI=1S/C24H25N5O3S/c1-2-32-20-8-5-9-21-22(20)27-24(33-21)29(11-10-28-12-14-31-15-13-28)23(30)19-16-25-17-6-3-4-7-18(17)26-19/h3-9,16H,2,10-15H2,1H3
InChIKeyBYLYAEVNWJSVRJ-UHFFFAOYSA-N
XLogP3.62
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride
CID 44932961
4-acetyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137573
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 7615556
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide;hydrochloride
CID 18583075
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 29137576
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 29137594
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide
CID 43998597
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)acetamide
CID 29137614
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 18581651
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29137601
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide
CID 29137593
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 29069223

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-2-carboxamide (CID 43997942) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-2-carboxamide is CCOc1cccc2sc(N(CCN3CCOCC3)C(=O)c3cnc4ccccc4n3)nc12.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-2-carboxamide?
The InChIKey is BYLYAEVNWJSVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-2-32-20-8-5-9-21-22(20)27-24(33-21)29(11-10-28-12-14-31-15-13-28)23(30)19-16-25-17-6-3-4-7-18(17)26-19/h3-9,16H,2,10-15H2,1H3.
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-2-carboxamide?
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-2-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 43997942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).