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

C21H21FN2O5 — CID 55995306

IUPACmethyl 3-(4-fluorophenyl)-3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O5/c1-28-21(27)11-18(13-2-5-15(22)6-3-13)24-20(26)12-29-16-7-8-17-14(10-16)4-9-19(25)23-17/h2-3,5-8,10,18H,4,9,11-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyWFKYDBPWGCPDNM-UHFFFAOYSA-N
MW400.41 g/mol
LogP2.51
Rot. Bonds7

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

methyl 3-(4-fluorophenyl)-3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]propanoate (PubChem CID 55995306) has the molecular formula C21H21FN2O5 and a molecular weight of 400.41 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]propanoate
PubChem CID55995306
Molecular FormulaC21H21FN2O5
Molecular Weight400.41 g/mol
Exact Mass400.14
IUPAC Namemethyl 3-(4-fluorophenyl)-3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O5/c1-28-21(27)11-18(13-2-5-15(22)6-3-13)24-20(26)12-29-16-7-8-17-14(10-16)4-9-19(25)23-17/h2-3,5-8,10,18H,4,9,11-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyWFKYDBPWGCPDNM-UHFFFAOYSA-N
XLogP2.51
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55528214
methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 17414893
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-pentan-2-ylacetamide
CID 42939058
N-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 71894484
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 116940124
N-[4-(4-fluorophenoxy)butyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33109872
methyl 3-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-3-(4-fluorophenyl)propanoate
CID 55995301
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
[4-(4-fluorobenzoyl)phenyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 39976920
[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 18293002
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]propanoate?
The IUPAC name of methyl 3-(4-fluorophenyl)-3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]propanoate (CID 55995306) is methyl 3-(4-fluorophenyl)-3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]propanoate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]propanoate is COC(=O)CC(NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(F)cc1.
What is the InChIKey of methyl 3-(4-fluorophenyl)-3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]propanoate?
The InChIKey is WFKYDBPWGCPDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O5/c1-28-21(27)11-18(13-2-5-15(22)6-3-13)24-20(26)12-29-16-7-8-17-14(10-16)4-9-19(25)23-17/h2-3,5-8,10,18H,4,9,11-12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of methyl 3-(4-fluorophenyl)-3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]propanoate?
methyl 3-(4-fluorophenyl)-3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]propanoate has a molecular weight of 400.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]propanoate is sourced from PubChem (CID 55995306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).