ethyl (2R,3S)-4-oxo-3-quinolin-6-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate

C23H17NO5 — CID 96544696

IUPACethyl (2R,3S)-4-oxo-3-quinolin-6-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
SMILESCCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc2ncccc2c1
InChIInChI=1S/C23H17NO5/c1-2-27-23(26)21-18(14-9-10-16-13(12-14)6-5-11-24-16)19-20(29-21)15-7-3-4-8-17(15)28-22(19)25/h3-12,18,21H,2H2,1H3/t18-,21+/m0/s1
InChIKeyOBXGNYNHWMFVBS-GHTZIAJQSA-N
MW387.39 g/mol
LogP3.80
Rot. Bonds3

About ethyl (2R,3S)-4-oxo-3-quinolin-6-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate

ethyl (2R,3S)-4-oxo-3-quinolin-6-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate (PubChem CID 96544696) has the molecular formula C23H17NO5 and a molecular weight of 387.39 g/mol. Its IUPAC name is ethyl (2R,3S)-4-oxo-3-quinolin-6-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-4-oxo-3-quinolin-6-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
PubChem CID96544696
Molecular FormulaC23H17NO5
Molecular Weight387.39 g/mol
Exact Mass387.11
IUPAC Nameethyl (2R,3S)-4-oxo-3-quinolin-6-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
SMILESCCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc2ncccc2c1
InChIInChI=1S/C23H17NO5/c1-2-27-23(26)21-18(14-9-10-16-13(12-14)6-5-11-24-16)19-20(29-21)15-7-3-4-8-17(15)28-22(19)25/h3-12,18,21H,2H2,1H3/t18-,21+/m0/s1
InChIKeyOBXGNYNHWMFVBS-GHTZIAJQSA-N
XLogP3.80
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-4-oxo-3-quinolin-6-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate?
The IUPAC name of ethyl (2R,3S)-4-oxo-3-quinolin-6-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate (CID 96544696) is ethyl (2R,3S)-4-oxo-3-quinolin-6-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-4-oxo-3-quinolin-6-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate?
The canonical SMILES for ethyl (2R,3S)-4-oxo-3-quinolin-6-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate is CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc2ncccc2c1.
What is the InChIKey of ethyl (2R,3S)-4-oxo-3-quinolin-6-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate?
The InChIKey is OBXGNYNHWMFVBS-GHTZIAJQSA-N. The full InChI is InChI=1S/C23H17NO5/c1-2-27-23(26)21-18(14-9-10-16-13(12-14)6-5-11-24-16)19-20(29-21)15-7-3-4-8-17(15)28-22(19)25/h3-12,18,21H,2H2,1H3/t18-,21+/m0/s1.
What are the key properties of ethyl (2R,3S)-4-oxo-3-quinolin-6-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate?
ethyl (2R,3S)-4-oxo-3-quinolin-6-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate has a molecular weight of 387.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-4-oxo-3-quinolin-6-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate is sourced from PubChem (CID 96544696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).