methyl 2-(5,6,7,8-tetrahydroquinolin-3-yl)butanoate

C14H19NO2 — CID 140536483

IUPACmethyl 2-(5,6,7,8-tetrahydroquinolin-3-yl)butanoate
SMILESCCC(C(=O)OC)c1cnc2c(c1)CCCC2
InChIInChI=1S/C14H19NO2/c1-3-12(14(16)17-2)11-8-10-6-4-5-7-13(10)15-9-11/h8-9,12H,3-7H2,1-2H3
InChIKeyKXAPQNDYZBKPHQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.63
Rot. Bonds3

About methyl 2-(5,6,7,8-tetrahydroquinolin-3-yl)butanoate

methyl 2-(5,6,7,8-tetrahydroquinolin-3-yl)butanoate (PubChem CID 140536483) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-(5,6,7,8-tetrahydroquinolin-3-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(5,6,7,8-tetrahydroquinolin-3-yl)butanoate
PubChem CID140536483
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-(5,6,7,8-tetrahydroquinolin-3-yl)butanoate
SMILESCCC(C(=O)OC)c1cnc2c(c1)CCCC2
InChIInChI=1S/C14H19NO2/c1-3-12(14(16)17-2)11-8-10-6-4-5-7-13(10)15-9-11/h8-9,12H,3-7H2,1-2H3
InChIKeyKXAPQNDYZBKPHQ-UHFFFAOYSA-N
XLogP2.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propane;3-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 168959227
2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid
CID 83833341
(1R)-1-(5,6,7,8-tetrahydroquinolin-3-yl)ethanol
CID 124706347
3-hexan-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 166956382
methyl 4-cyclohexyl-3-(5,6,7,8-tetrahydroquinolin-3-yl)butanoate
CID 58230492
methyl 2-(3,4-dihydro-2H-thiochromen-6-yl)butanoate
CID 116964438
(1R)-2-methyl-1-(5,6,7,8-tetrahydroquinolin-3-yl)propan-1-ol
CID 124843658
methyl 2-(1-methylpyrazol-4-yl)butanoate
CID 62395222
2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid
CID 83837749
N-(N'-ethylcarbamimidoyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide
CID 70227123
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-methylbutanamide
CID 110203808
methyl 2-(5-methylthiophen-3-yl)butanoate
CID 65099260

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,6,7,8-tetrahydroquinolin-3-yl)butanoate?
The IUPAC name of methyl 2-(5,6,7,8-tetrahydroquinolin-3-yl)butanoate (CID 140536483) is methyl 2-(5,6,7,8-tetrahydroquinolin-3-yl)butanoate.
What is the SMILES notation for methyl 2-(5,6,7,8-tetrahydroquinolin-3-yl)butanoate?
The canonical SMILES for methyl 2-(5,6,7,8-tetrahydroquinolin-3-yl)butanoate is CCC(C(=O)OC)c1cnc2c(c1)CCCC2.
What is the InChIKey of methyl 2-(5,6,7,8-tetrahydroquinolin-3-yl)butanoate?
The InChIKey is KXAPQNDYZBKPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-12(14(16)17-2)11-8-10-6-4-5-7-13(10)15-9-11/h8-9,12H,3-7H2,1-2H3.
What are the key properties of methyl 2-(5,6,7,8-tetrahydroquinolin-3-yl)butanoate?
methyl 2-(5,6,7,8-tetrahydroquinolin-3-yl)butanoate has a molecular weight of 233.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,6,7,8-tetrahydroquinolin-3-yl)butanoate is sourced from PubChem (CID 140536483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).