methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate

C13H15NO3 — CID 28940061

IUPACmethyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
SMILESCOC(=O)CCN1C(=O)CCc2ccccc21
InChIInChI=1S/C13H15NO3/c1-17-13(16)8-9-14-11-5-3-2-4-10(11)6-7-12(14)15/h2-5H,6-9H2,1H3
InChIKeyGTULRPRGYIIUFH-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.53
Rot. Bonds3

About methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate

methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate (PubChem CID 28940061) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
PubChem CID28940061
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
SMILESCOC(=O)CCN1C(=O)CCc2ccccc21
InChIInChI=1S/C13H15NO3/c1-17-13(16)8-9-14-11-5-3-2-4-10(11)6-7-12(14)15/h2-5H,6-9H2,1H3
InChIKeyGTULRPRGYIIUFH-UHFFFAOYSA-N
XLogP1.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(9H-acridin-10-yl)propanoate
CID 129155450
methyl 3-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)propanoate
CID 43627739
3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide
CID 24704433
1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 43509835
1-hexyl-3,4-dihydroquinolin-2-one
CID 91805726
(2S,3S)-3-methyl-2-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]pentanoic acid
CID 119194377
1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one
CID 119644540
1-(2-chloroethyl)-3,4-dihydroquinolin-2-one
CID 12992360
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
4-[[methyl-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]methyl]benzoic acid
CID 119226114
1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one
CID 111435932
1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea
CID 110748751

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate?
The IUPAC name of methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate (CID 28940061) is methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate?
The canonical SMILES for methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate is COC(=O)CCN1C(=O)CCc2ccccc21.
What is the InChIKey of methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate?
The InChIKey is GTULRPRGYIIUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-17-13(16)8-9-14-11-5-3-2-4-10(11)6-7-12(14)15/h2-5H,6-9H2,1H3.
What are the key properties of methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate?
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate has a molecular weight of 233.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate is sourced from PubChem (CID 28940061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).