2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide

C26H31N3O3 — CID 31405313

IUPAC2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCOc1ccc([C@@H](CNC(=O)Cc2c(C)nc3ccccc3c2C)N2CCOCC2)cc1
InChIInChI=1S/C26H31N3O3/c1-18-22-6-4-5-7-24(22)28-19(2)23(18)16-26(30)27-17-25(29-12-14-32-15-13-29)20-8-10-21(31-3)11-9-20/h4-11,25H,12-17H2,1-3H3,(H,27,30)/t25-/m1/s1
InChIKeyLXXHOHFBBJLLRT-RUZDIDTESA-N
MW433.55 g/mol
LogP3.59
Rot. Bonds7

About 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide

2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 31405313) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
PubChem CID31405313
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCOc1ccc([C@@H](CNC(=O)Cc2c(C)nc3ccccc3c2C)N2CCOCC2)cc1
InChIInChI=1S/C26H31N3O3/c1-18-22-6-4-5-7-24(22)28-19(2)23(18)16-26(30)27-17-25(29-12-14-32-15-13-29)20-8-10-21(31-3)11-9-20/h4-11,25H,12-17H2,1-3H3,(H,27,30)/t25-/m1/s1
InChIKeyLXXHOHFBBJLLRT-RUZDIDTESA-N
XLogP3.59
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 31325172
2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 40645687
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
2-benzhydryloxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 55358314
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 31482885
2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 40713888
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
2-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 18161625
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 51336102
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide
CID 18161642
2-(4-aminophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119829747

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide (CID 31405313) is 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide is COc1ccc([C@@H](CNC(=O)Cc2c(C)nc3ccccc3c2C)N2CCOCC2)cc1.
What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is LXXHOHFBBJLLRT-RUZDIDTESA-N. The full InChI is InChI=1S/C26H31N3O3/c1-18-22-6-4-5-7-24(22)28-19(2)23(18)16-26(30)27-17-25(29-12-14-32-15-13-29)20-8-10-21(31-3)11-9-20/h4-11,25H,12-17H2,1-3H3,(H,27,30)/t25-/m1/s1.
What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 433.55 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 31405313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).