methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate

C20H31NO2 — CID 125044674

IUPACmethyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate
SMILESCCCC[C@@H](C(=O)OC)N1c2c(C)cccc2[C@H](C)CC1(C)C
InChIInChI=1S/C20H31NO2/c1-7-8-12-17(19(22)23-6)21-18-14(2)10-9-11-16(18)15(3)13-20(21,4)5/h9-11,15,17H,7-8,12-13H2,1-6H3/t15-,17+/m1/s1
InChIKeyRGFZOZKYRDBXPT-WBVHZDCISA-N
MW317.47 g/mol
LogP4.82
Rot. Bonds5

About methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate

methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate (PubChem CID 125044674) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate
PubChem CID125044674
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Namemethyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate
SMILESCCCC[C@@H](C(=O)OC)N1c2c(C)cccc2[C@H](C)CC1(C)C
InChIInChI=1S/C20H31NO2/c1-7-8-12-17(19(22)23-6)21-18-14(2)10-9-11-16(18)15(3)13-20(21,4)5/h9-11,15,17H,7-8,12-13H2,1-6H3/t15-,17+/m1/s1
InChIKeyRGFZOZKYRDBXPT-WBVHZDCISA-N
XLogP4.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate?
The IUPAC name of methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate (CID 125044674) is methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate.
What is the SMILES notation for methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate?
The canonical SMILES for methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate is CCCC[C@@H](C(=O)OC)N1c2c(C)cccc2[C@H](C)CC1(C)C.
What is the InChIKey of methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate?
The InChIKey is RGFZOZKYRDBXPT-WBVHZDCISA-N. The full InChI is InChI=1S/C20H31NO2/c1-7-8-12-17(19(22)23-6)21-18-14(2)10-9-11-16(18)15(3)13-20(21,4)5/h9-11,15,17H,7-8,12-13H2,1-6H3/t15-,17+/m1/s1.
What are the key properties of methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate?
methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate has a molecular weight of 317.47 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate is sourced from PubChem (CID 125044674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).