N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-6-carboxamide

C22H20FN5O2S — CID 43997985

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-6-carboxamide
SMILESO=C(c1ccc2nccnc2c1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1
InChIInChI=1S/C22H20FN5O2S/c23-16-2-1-3-19-20(16)26-22(31-19)28(9-8-27-10-12-30-13-11-27)21(29)15-4-5-17-18(14-15)25-7-6-24-17/h1-7,14H,8-13H2
InChIKeyOMPOCDFDJKTUGN-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.36
Rot. Bonds5

About N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-6-carboxamide

N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-6-carboxamide (PubChem CID 43997985) has the molecular formula C22H20FN5O2S and a molecular weight of 437.50 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-6-carboxamide
PubChem CID43997985
Molecular FormulaC22H20FN5O2S
Molecular Weight437.50 g/mol
Exact Mass437.13
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-6-carboxamide
SMILESO=C(c1ccc2nccnc2c1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1
InChIInChI=1S/C22H20FN5O2S/c23-16-2-1-3-19-20(16)26-22(31-19)28(9-8-27-10-12-30-13-11-27)21(29)15-4-5-17-18(14-15)25-7-6-24-17/h1-7,14H,8-13H2
InChIKeyOMPOCDFDJKTUGN-UHFFFAOYSA-N
XLogP3.36
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 25319351
4-acetyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137701
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933048
N-(4-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622447
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 7622457
3,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43999926
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride
CID 44934863
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43962145
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pentoxybenzamide
CID 29137716
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 18583161
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzamide;hydrochloride
CID 44933091
2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933068

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-6-carboxamide (CID 43997985) is N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-6-carboxamide is O=C(c1ccc2nccnc2c1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-6-carboxamide?
The InChIKey is OMPOCDFDJKTUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2S/c23-16-2-1-3-19-20(16)26-22(31-19)28(9-8-27-10-12-30-13-11-27)21(29)15-4-5-17-18(14-15)25-7-6-24-17/h1-7,14H,8-13H2.
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-6-carboxamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-6-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 43997985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).