2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide

C21H22N4O2 — CID 174653885

IUPAC2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
SMILESCc1c(C(N)=O)ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1C
InChIInChI=1S/C21H22N4O2/c1-13-14(2)17(21(22)26)5-4-16(13)15-3-6-18-19(11-15)24-20(12-23-18)25-7-9-27-10-8-25/h3-6,11-12H,7-10H2,1-2H3,(H2,22,26)
InChIKeySBECGMAORAFXQJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.85
Rot. Bonds3

About 2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide

2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide (PubChem CID 174653885) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide.

Molecular Properties

Compound Name2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
PubChem CID174653885
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
SMILESCc1c(C(N)=O)ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1C
InChIInChI=1S/C21H22N4O2/c1-13-14(2)17(21(22)26)5-4-16(13)15-3-6-18-19(11-15)24-20(12-23-18)25-7-9-27-10-8-25/h3-6,11-12H,7-10H2,1-2H3,(H2,22,26)
InChIKeySBECGMAORAFXQJ-UHFFFAOYSA-N
XLogP2.85
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
CID 67036137
2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline
CID 67035841
2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide
CID 67035276
4-[7-(2-methyl-1H-imidazol-5-yl)quinoxalin-2-yl]morpholine
CID 91385762
4-[7-(3,5-difluorophenyl)quinoxalin-2-yl]morpholine
CID 67035153
2-chloro-N-cyclopropyl-5-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
CID 67035546
4-[7-(furan-2-yl)quinoxalin-2-yl]morpholine
CID 173105011
4-[7-(3-propan-2-yloxyphenyl)quinoxalin-2-yl]morpholine
CID 51039662
3-[1-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrazol-3-yl]aniline
CID 91122899
(E)-2-(3-morpholin-4-ylquinoxalin-6-yl)prop-1-en-1-amine
CID 143761172
4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine
CID 51042260
bis(2-morpholin-4-ylquinoxalin-6-yl)methanone
CID 151491691

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide?
The IUPAC name of 2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide (CID 174653885) is 2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide.
What is the SMILES notation for 2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide?
The canonical SMILES for 2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide is Cc1c(C(N)=O)ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1C.
What is the InChIKey of 2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide?
The InChIKey is SBECGMAORAFXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-14(2)17(21(22)26)5-4-16(13)15-3-6-18-19(11-15)24-20(12-23-18)25-7-9-27-10-8-25/h3-6,11-12H,7-10H2,1-2H3,(H2,22,26).
What are the key properties of 2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide?
2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide has a molecular weight of 362.43 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide is sourced from PubChem (CID 174653885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).