N-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide

C26H25N3O2 — CID 11596721

IUPACN-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide
SMILESCCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)c(C)nc3c2)cc1
InChIInChI=1S/C26H25N3O2/c1-4-19-9-12-22(13-10-19)31-16-20-7-5-6-8-23(20)26(30)29-21-11-14-24-25(15-21)28-18(3)17(2)27-24/h5-15H,4,16H2,1-3H3,(H,29,30)
InChIKeyLMZBXMHAOBUBRT-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.64
Rot. Bonds6

About N-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide

N-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide (PubChem CID 11596721) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide
PubChem CID11596721
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide
SMILESCCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)c(C)nc3c2)cc1
InChIInChI=1S/C26H25N3O2/c1-4-19-9-12-22(13-10-19)31-16-20-7-5-6-8-23(20)26(30)29-21-11-14-24-25(15-21)28-18(3)17(2)27-24/h5-15H,4,16H2,1-3H3,(H,29,30)
InChIKeyLMZBXMHAOBUBRT-UHFFFAOYSA-N
XLogP5.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-2,3-dimethylquinolin-6-yl)-2-[(4-fluorophenoxy)methyl]benzamide
CID 11247011
[4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]phenyl]methyl acetate;hydrochloride
CID 22397041
N-(4-amino-2-ethylquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide
CID 10765154
4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]benzoic acid;hydrochloride
CID 69240476
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-(trifluoromethyl)phenoxy]methyl]benzamide;hydrochloride
CID 22397059
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride
CID 22397054
N-(4-aminoquinolin-6-yl)-2-[[4-(methoxymethoxymethyl)phenoxy]methyl]benzamide
CID 22083500
N-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride
CID 22397066
N-(4-amino-2-ethylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;ethane;hydrochloride
CID 159636156
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-(methoxymethyl)benzamide
CID 39089763
N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide
CID 22083457
N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide
CID 17428367

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide?
The IUPAC name of N-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide (CID 11596721) is N-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide.
What is the SMILES notation for N-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide?
The canonical SMILES for N-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide is CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)c(C)nc3c2)cc1.
What is the InChIKey of N-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide?
The InChIKey is LMZBXMHAOBUBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-4-19-9-12-22(13-10-19)31-16-20-7-5-6-8-23(20)26(30)29-21-11-14-24-25(15-21)28-18(3)17(2)27-24/h5-15H,4,16H2,1-3H3,(H,29,30).
What are the key properties of N-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide?
N-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide has a molecular weight of 411.51 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide is sourced from PubChem (CID 11596721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).