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

C23H18N2O4 — CID 10786383

IUPACmethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C23H18N2O4/c1-28-23(27)21(15-8-3-2-4-9-15)25-22(26)17-14-19(20-12-7-13-29-20)24-18-11-6-5-10-16(17)18/h2-14,21H,1H3,(H,25,26)
InChIKeyJFGSTVBGSQVNSI-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.14
Rot. Bonds5

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

methyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate (PubChem CID 10786383) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is methyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
PubChem CID10786383
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Namemethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C23H18N2O4/c1-28-23(27)21(15-8-3-2-4-9-15)25-22(26)17-14-19(20-12-7-13-29-20)24-18-11-6-5-10-16(17)18/h2-14,21H,1H3,(H,25,26)
InChIKeyJFGSTVBGSQVNSI-UHFFFAOYSA-N
XLogP4.14
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The IUPAC name of methyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate (CID 10786383) is methyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate is COC(=O)C(NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1.
What is the InChIKey of methyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The InChIKey is JFGSTVBGSQVNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-28-23(27)21(15-8-3-2-4-9-15)25-22(26)17-14-19(20-12-7-13-29-20)24-18-11-6-5-10-16(17)18/h2-14,21H,1H3,(H,25,26).
What are the key properties of methyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate?
methyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate has a molecular weight of 386.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate is sourced from PubChem (CID 10786383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).