methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate

C15H18N2O4 — CID 134051213

IUPACmethyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate
SMILESCOC(=O)CNC(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C15H18N2O4/c1-21-14(19)9-16-13(18)7-6-11-8-10-4-2-3-5-12(10)17-15(11)20/h2-5,11H,6-9H2,1H3,(H,16,18)(H,17,20)
InChIKeyVXAXLNIKTCZFCL-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.87
Rot. Bonds5

About methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate

methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate (PubChem CID 134051213) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate
PubChem CID134051213
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate
SMILESCOC(=O)CNC(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C15H18N2O4/c1-21-14(19)9-16-13(18)7-6-11-8-10-4-2-3-5-12(10)17-15(11)20/h2-5,11H,6-9H2,1H3,(H,16,18)(H,17,20)
InChIKeyVXAXLNIKTCZFCL-UHFFFAOYSA-N
XLogP0.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78839484
N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119641050
N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119641049
N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119383150
N-(3-hydroxypropyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78854593
methyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate
CID 18143028
N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 51537762
N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119430985
N-(2-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615477
N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 111446660
N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 30211328
methyl 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoate
CID 134034550

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate?
The IUPAC name of methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate (CID 134051213) is methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate.
What is the SMILES notation for methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate?
The canonical SMILES for methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate is COC(=O)CNC(=O)CCC1Cc2ccccc2NC1=O.
What is the InChIKey of methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate?
The InChIKey is VXAXLNIKTCZFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-21-14(19)9-16-13(18)7-6-11-8-10-4-2-3-5-12(10)17-15(11)20/h2-5,11H,6-9H2,1H3,(H,16,18)(H,17,20).
What are the key properties of methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate?
methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate has a molecular weight of 290.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate is sourced from PubChem (CID 134051213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).