methyl 4-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)pentanoate

C17H26N2O2 — CID 80650294

IUPACmethyl 4-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NCc1cccc2c1NCCC2
InChIInChI=1S/C17H26N2O2/c1-12(2)10-15(17(20)21-3)19-11-14-7-4-6-13-8-5-9-18-16(13)14/h4,6-7,12,15,18-19H,5,8-11H2,1-3H3
InChIKeyWALVANXYWGAWAL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.72
Rot. Bonds6

About methyl 4-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)pentanoate

methyl 4-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)pentanoate (PubChem CID 80650294) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is methyl 4-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)pentanoate
PubChem CID80650294
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namemethyl 4-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NCc1cccc2c1NCCC2
InChIInChI=1S/C17H26N2O2/c1-12(2)10-15(17(20)21-3)19-11-14-7-4-6-13-8-5-9-18-16(13)14/h4,6-7,12,15,18-19H,5,8-11H2,1-3H3
InChIKeyWALVANXYWGAWAL-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)pentanoate?
The IUPAC name of methyl 4-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)pentanoate (CID 80650294) is methyl 4-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)pentanoate?
The canonical SMILES for methyl 4-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)pentanoate is COC(=O)C(CC(C)C)NCc1cccc2c1NCCC2.
What is the InChIKey of methyl 4-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)pentanoate?
The InChIKey is WALVANXYWGAWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)10-15(17(20)21-3)19-11-14-7-4-6-13-8-5-9-18-16(13)14/h4,6-7,12,15,18-19H,5,8-11H2,1-3H3.
What are the key properties of methyl 4-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)pentanoate?
methyl 4-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)pentanoate has a molecular weight of 290.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)pentanoate is sourced from PubChem (CID 80650294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).