methyl 3-[benzyl-[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]propanoate

C24H26N2O3 — CID 55513322

IUPACmethyl 3-[benzyl-[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)Cc1c(C)nc2ccccc2c1C
InChIInChI=1S/C24H26N2O3/c1-17-20-11-7-8-12-22(20)25-18(2)21(17)15-23(27)26(14-13-24(28)29-3)16-19-9-5-4-6-10-19/h4-12H,13-16H2,1-3H3
InChIKeyRLOJAKLYCFUQSQ-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.99
Rot. Bonds7

About methyl 3-[benzyl-[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]propanoate

methyl 3-[benzyl-[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]propanoate (PubChem CID 55513322) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is methyl 3-[benzyl-[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[benzyl-[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]propanoate
PubChem CID55513322
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Namemethyl 3-[benzyl-[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)Cc1c(C)nc2ccccc2c1C
InChIInChI=1S/C24H26N2O3/c1-17-20-11-7-8-12-22(20)25-18(2)21(17)15-23(27)26(14-13-24(28)29-3)16-19-9-5-4-6-10-19/h4-12H,13-16H2,1-3H3
InChIKeyRLOJAKLYCFUQSQ-UHFFFAOYSA-N
XLogP3.99
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylquinolin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 17471505
methyl 3-[benzyl-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]amino]propanoate
CID 55758859
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825443
ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate
CID 43910778
methyl 3-[benzyl-[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]propanoate
CID 55608393
dimethyl 5-[2-(2,4-dimethylquinolin-3-yl)acetyl]oxybenzene-1,3-dicarboxylate
CID 37242161
methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate
CID 97033673
methyl 3-[benzyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate
CID 55513095
2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 18160718
methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate
CID 55554526
2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 40645687
N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 27861043

Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzyl-[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[benzyl-[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]propanoate (CID 55513322) is methyl 3-[benzyl-[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[benzyl-[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[benzyl-[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]propanoate is COC(=O)CCN(Cc1ccccc1)C(=O)Cc1c(C)nc2ccccc2c1C.
What is the InChIKey of methyl 3-[benzyl-[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]propanoate?
The InChIKey is RLOJAKLYCFUQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-17-20-11-7-8-12-22(20)25-18(2)21(17)15-23(27)26(14-13-24(28)29-3)16-19-9-5-4-6-10-19/h4-12H,13-16H2,1-3H3.
What are the key properties of methyl 3-[benzyl-[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]propanoate?
methyl 3-[benzyl-[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]propanoate has a molecular weight of 390.48 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzyl-[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]propanoate is sourced from PubChem (CID 55513322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).