methyl 2-[[2-(2-fluorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate

C25H19FN2O3 — CID 10136512

IUPACmethyl 2-[[2-(2-fluorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccccc2F)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H19FN2O3/c1-31-25(30)23(16-9-3-2-4-10-16)28-24(29)19-15-22(18-12-5-7-13-20(18)26)27-21-14-8-6-11-17(19)21/h2-15,23H,1H3,(H,28,29)
InChIKeyMPDSEWFBHJBLOK-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.68
Rot. Bonds5

About methyl 2-[[2-(2-fluorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate

methyl 2-[[2-(2-fluorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate (PubChem CID 10136512) has the molecular formula C25H19FN2O3 and a molecular weight of 414.44 g/mol. Its IUPAC name is methyl 2-[[2-(2-fluorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-fluorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate
PubChem CID10136512
Molecular FormulaC25H19FN2O3
Molecular Weight414.44 g/mol
Exact Mass414.14
IUPAC Namemethyl 2-[[2-(2-fluorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccccc2F)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H19FN2O3/c1-31-25(30)23(16-9-3-2-4-10-16)28-24(29)19-15-22(18-12-5-7-13-20(18)26)27-21-14-8-6-11-17(19)21/h2-15,23H,1H3,(H,28,29)
InChIKeyMPDSEWFBHJBLOK-UHFFFAOYSA-N
XLogP4.68
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-fluorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The IUPAC name of methyl 2-[[2-(2-fluorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate (CID 10136512) is methyl 2-[[2-(2-fluorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[[2-(2-fluorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[[2-(2-fluorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate is COC(=O)C(NC(=O)c1cc(-c2ccccc2F)nc2ccccc12)c1ccccc1.
What is the InChIKey of methyl 2-[[2-(2-fluorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The InChIKey is MPDSEWFBHJBLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O3/c1-31-25(30)23(16-9-3-2-4-10-16)28-24(29)19-15-22(18-12-5-7-13-20(18)26)27-21-14-8-6-11-17(19)21/h2-15,23H,1H3,(H,28,29).
What are the key properties of methyl 2-[[2-(2-fluorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
methyl 2-[[2-(2-fluorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate has a molecular weight of 414.44 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-fluorophenyl)quinoline-4-carbonyl]amino]-2-phenylacetate is sourced from PubChem (CID 10136512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).