methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate

C17H22N2O2 — CID 105379694

IUPACmethyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate
SMILESCCCNC(CC(=O)OC)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H22N2O2/c1-4-9-18-16(11-17(20)21-3)14-7-8-15-13(10-14)6-5-12(2)19-15/h5-8,10,16,18H,4,9,11H2,1-3H3
InChIKeyXRGGKYZADRZAIM-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.15
Rot. Bonds6

About methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate

methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate (PubChem CID 105379694) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate
PubChem CID105379694
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Namemethyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate
SMILESCCCNC(CC(=O)OC)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H22N2O2/c1-4-9-18-16(11-17(20)21-3)14-7-8-15-13(10-14)6-5-12(2)19-15/h5-8,10,16,18H,4,9,11H2,1-3H3
InChIKeyXRGGKYZADRZAIM-UHFFFAOYSA-N
XLogP3.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
CID 81220852
2-(2-methylquinolin-6-yl)-2-(propylamino)ethanol
CID 105379248
3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol
CID 105379697
methyl 3-(3,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235819
3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine
CID 81220093
1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105172233
methyl 3-(3-fluoro-4-methylphenyl)-3-(propylamino)propanoate
CID 65236016
N-[1-(2-methylquinolin-6-yl)-2-propylsulfanylethyl]propan-1-amine
CID 81228646
methyl 3-(3,4-difluorophenyl)-3-(propylamino)propanoate
CID 65235912
methyl 2-(ethylamino)-2-(2-methylquinolin-6-yl)acetate
CID 105378902
methyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235647
methyl 3-(propylamino)-3-[4-(trifluoromethyl)phenyl]propanoate
CID 65235964

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate?
The IUPAC name of methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate (CID 105379694) is methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate.
What is the SMILES notation for methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate?
The canonical SMILES for methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate is CCCNC(CC(=O)OC)c1ccc2nc(C)ccc2c1.
What is the InChIKey of methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate?
The InChIKey is XRGGKYZADRZAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-9-18-16(11-17(20)21-3)14-7-8-15-13(10-14)6-5-12(2)19-15/h5-8,10,16,18H,4,9,11H2,1-3H3.
What are the key properties of methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate?
methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate has a molecular weight of 286.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate is sourced from PubChem (CID 105379694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).