(2-amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate

C16H12N2O4 — CID 2372589

IUPAC(2-amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
SMILESNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C16H12N2O4/c17-15(19)9-22-16(20)11-8-13(14-6-3-7-21-14)18-12-5-2-1-4-10(11)12/h1-8H,9H2,(H2,17,19)
InChIKeyGOZKFNCDUGCHKB-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.14
Rot. Bonds4

About (2-amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate

(2-amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 2372589) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID2372589
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name(2-amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
SMILESNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C16H12N2O4/c17-15(19)9-22-16(20)11-8-13(14-6-3-7-21-14)18-12-5-2-1-4-10(11)12/h1-8H,9H2,(H2,17,19)
InChIKeyGOZKFNCDUGCHKB-UHFFFAOYSA-N
XLogP2.14
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate (CID 2372589) is (2-amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate is NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of (2-amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is GOZKFNCDUGCHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c17-15(19)9-22-16(20)11-8-13(14-6-3-7-21-14)18-12-5-2-1-4-10(11)12/h1-8H,9H2,(H2,17,19).
What are the key properties of (2-amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate?
(2-amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 296.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 2372589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).