methyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate

C19H16F2N2O5 — CID 47022018

IUPACmethyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)c(F)cc1F
InChIInChI=1S/C19H16F2N2O5/c1-27-19(26)12-7-16(14(21)8-13(12)20)23-18(25)9-28-11-3-4-15-10(6-11)2-5-17(24)22-15/h3-4,6-8H,2,5,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyWUQNRLNFTKGZIA-UHFFFAOYSA-N
MW390.34 g/mol
LogP2.65
Rot. Bonds5

About methyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate

methyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate (PubChem CID 47022018) has the molecular formula C19H16F2N2O5 and a molecular weight of 390.34 g/mol. Its IUPAC name is methyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate
PubChem CID47022018
Molecular FormulaC19H16F2N2O5
Molecular Weight390.34 g/mol
Exact Mass390.10
IUPAC Namemethyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)c(F)cc1F
InChIInChI=1S/C19H16F2N2O5/c1-27-19(26)12-7-16(14(21)8-13(12)20)23-18(25)9-28-11-3-4-15-10(6-11)2-5-17(24)22-15/h3-4,6-8H,2,5,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyWUQNRLNFTKGZIA-UHFFFAOYSA-N
XLogP2.65
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide
CID 24670388
2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]-N-propan-2-ylbenzamide
CID 55672954
N-[4-(2-methoxyethoxy)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55658148
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
N-naphthalen-2-yl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 36507480
N-benzyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide
CID 24676625
methyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate
CID 55572616
N-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 71894484
methyl 3-(4-fluorophenyl)-3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]propanoate
CID 55995306
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-pentan-2-ylacetamide
CID 42939058
N-[4-(4-fluorophenoxy)butyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33109872
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate?
The IUPAC name of methyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate (CID 47022018) is methyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate is COC(=O)c1cc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)c(F)cc1F.
What is the InChIKey of methyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate?
The InChIKey is WUQNRLNFTKGZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O5/c1-27-19(26)12-7-16(14(21)8-13(12)20)23-18(25)9-28-11-3-4-15-10(6-11)2-5-17(24)22-15/h3-4,6-8H,2,5,9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of methyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate?
methyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate has a molecular weight of 390.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate is sourced from PubChem (CID 47022018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).