methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate

C14H18N2O3 — CID 116940125

IUPACmethyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate
SMILESCOC(=O)CC(N)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C14H18N2O3/c1-16-12-5-3-9(11(15)8-14(18)19-2)7-10(12)4-6-13(16)17/h3,5,7,11H,4,6,8,15H2,1-2H3
InChIKeyLOCIIMABDOEHOZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.16
Rot. Bonds3

About methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate

methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate (PubChem CID 116940125) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate
PubChem CID116940125
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate
SMILESCOC(=O)CC(N)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C14H18N2O3/c1-16-12-5-3-9(11(15)8-14(18)19-2)7-10(12)4-6-13(16)17/h3,5,7,11H,4,6,8,15H2,1-2H3
InChIKeyLOCIIMABDOEHOZ-UHFFFAOYSA-N
XLogP1.16
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate with MolForge

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Related Compounds

6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116932774
6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116937542
3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 116851226
3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
CID 116848766
6-(1-amino-2-cyclopentylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104828
methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 116940124
6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116859555
6-(1-amino-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105964
6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105199
6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116942089
6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312785
6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116855688

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate?
The IUPAC name of methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate (CID 116940125) is methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate.
What is the SMILES notation for methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate?
The canonical SMILES for methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate is COC(=O)CC(N)c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate?
The InChIKey is LOCIIMABDOEHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16-12-5-3-9(11(15)8-14(18)19-2)7-10(12)4-6-13(16)17/h3,5,7,11H,4,6,8,15H2,1-2H3.
What are the key properties of methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate?
methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate has a molecular weight of 262.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate is sourced from PubChem (CID 116940125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).