methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate

C17H22N2O2 — CID 60716333

IUPACmethyl 6-[(2-methylquinolin-4-yl)amino]hexanoate
SMILESCOC(=O)CCCCCNc1cc(C)nc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-13-12-16(14-8-5-6-9-15(14)19-13)18-11-7-3-4-10-17(20)21-2/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,18,19)
InChIKeyOYYBFHOIZUWKQI-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.69
Rot. Bonds7

About methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate

methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate (PubChem CID 60716333) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(2-methylquinolin-4-yl)amino]hexanoate
PubChem CID60716333
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Namemethyl 6-[(2-methylquinolin-4-yl)amino]hexanoate
SMILESCOC(=O)CCCCCNc1cc(C)nc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-13-12-16(14-8-5-6-9-15(14)19-13)18-11-7-3-4-10-17(20)21-2/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,18,19)
InChIKeyOYYBFHOIZUWKQI-UHFFFAOYSA-N
XLogP3.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
methyl 6-(quinolin-4-ylamino)hexanoate
CID 62005474
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
CID 54904913
N-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine
CID 71210633
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
N-(3-butoxypropyl)-2-methylquinolin-4-amine
CID 112810282
N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
CID 49431740
2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide
CID 106239415
1,1-diiodo-N,N'-bis(2-methylquinolin-4-yl)octane-1,8-diamine;hydrate
CID 141305171
N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide
CID 44596231

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate?
The IUPAC name of methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate (CID 60716333) is methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate?
The canonical SMILES for methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate is COC(=O)CCCCCNc1cc(C)nc2ccccc12.
What is the InChIKey of methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate?
The InChIKey is OYYBFHOIZUWKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-12-16(14-8-5-6-9-15(14)19-13)18-11-7-3-4-10-17(20)21-2/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,18,19).
What are the key properties of methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate?
methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate has a molecular weight of 286.38 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate is sourced from PubChem (CID 60716333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).