[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

C20H19FN2O4 — CID 5203969

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H19FN2O4/c21-16-9-3-2-8-15(16)20(26)22-12-19(25)27-13-18(24)23-11-5-7-14-6-1-4-10-17(14)23/h1-4,6,8-10H,5,7,11-13H2,(H,22,26)
InChIKeyCECHAZBCDJNLOV-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.08
Rot. Bonds5

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 5203969) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID5203969
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H19FN2O4/c21-16-9-3-2-8-15(16)20(26)22-12-19(25)27-13-18(24)23-11-5-7-14-6-1-4-10-17(14)23/h1-4,6,8-10H,5,7,11-13H2,(H,22,26)
InChIKeyCECHAZBCDJNLOV-UHFFFAOYSA-N
XLogP2.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 5203969) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccccc1F)OCC(=O)N1CCCc2ccccc21.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is CECHAZBCDJNLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c21-16-9-3-2-8-15(16)20(26)22-12-19(25)27-13-18(24)23-11-5-7-14-6-1-4-10-17(14)23/h1-4,6,8-10H,5,7,11-13H2,(H,22,26).
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 370.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 5203969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).