methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate

C14H18N2O4 — CID 63039322

IUPACmethyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
SMILESCOC(=O)C(N)CCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H18N2O4/c1-19-14(18)11(15)6-7-20-10-3-4-12-9(8-10)2-5-13(17)16-12/h3-4,8,11H,2,5-7,15H2,1H3,(H,16,17)
InChIKeyLERAEDFXWQDPCU-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.84
Rot. Bonds5

About methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate

methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate (PubChem CID 63039322) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
PubChem CID63039322
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
SMILESCOC(=O)C(N)CCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H18N2O4/c1-19-14(18)11(15)6-7-20-10-3-4-12-9(8-10)2-5-13(17)16-12/h3-4,8,11H,2,5-7,15H2,1H3,(H,16,17)
InChIKeyLERAEDFXWQDPCU-UHFFFAOYSA-N
XLogP0.84
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate with MolForge

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Related Compounds

2-(ethylamino)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 63038955
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 114242135
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
methyl (2R)-2-(2,4-difluorophenyl)-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]acetate
CID 97247312
N-[4-(2-methoxyethoxy)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55658148
2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-propan-2-ylguanidine
CID 111057784
3,3-dimethylbutyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 78858511
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-pentan-2-ylacetamide
CID 42939058

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate?
The IUPAC name of methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate (CID 63039322) is methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate.
What is the SMILES notation for methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate?
The canonical SMILES for methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate is COC(=O)C(N)CCOc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate?
The InChIKey is LERAEDFXWQDPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-14(18)11(15)6-7-20-10-3-4-12-9(8-10)2-5-13(17)16-12/h3-4,8,11H,2,5-7,15H2,1H3,(H,16,17).
What are the key properties of methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate?
methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate has a molecular weight of 278.31 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate is sourced from PubChem (CID 63039322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).