ethyl (2R,3R)-3-(1-methyl-2-oxoquinolin-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate

C24H19NO6 — CID 96544607

IUPACethyl (2R,3R)-3-(1-methyl-2-oxoquinolin-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
SMILESCCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2ccccc2n(C)c1=O
InChIInChI=1S/C24H19NO6/c1-3-29-24(28)21-18(15-12-13-8-4-6-10-16(13)25(2)22(15)26)19-20(31-21)14-9-5-7-11-17(14)30-23(19)27/h4-12,18,21H,3H2,1-2H3/t18-,21-/m1/s1
InChIKeyRYMCCCGKAGFXQP-WIYYLYMNSA-N
MW417.42 g/mol
LogP3.10
Rot. Bonds3

About ethyl (2R,3R)-3-(1-methyl-2-oxoquinolin-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate

ethyl (2R,3R)-3-(1-methyl-2-oxoquinolin-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate (PubChem CID 96544607) has the molecular formula C24H19NO6 and a molecular weight of 417.42 g/mol. Its IUPAC name is ethyl (2R,3R)-3-(1-methyl-2-oxoquinolin-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R)-3-(1-methyl-2-oxoquinolin-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
PubChem CID96544607
Molecular FormulaC24H19NO6
Molecular Weight417.42 g/mol
Exact Mass417.12
IUPAC Nameethyl (2R,3R)-3-(1-methyl-2-oxoquinolin-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
SMILESCCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2ccccc2n(C)c1=O
InChIInChI=1S/C24H19NO6/c1-3-29-24(28)21-18(15-12-13-8-4-6-10-16(13)25(2)22(15)26)19-20(31-21)14-9-5-7-11-17(14)30-23(19)27/h4-12,18,21H,3H2,1-2H3/t18-,21-/m1/s1
InChIKeyRYMCCCGKAGFXQP-WIYYLYMNSA-N
XLogP3.10
TPSA87.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl (2R,3R)-3-(1-methyl-2-oxoquinolin-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-oxo-3-(2-oxo-1H-quinolin-3-yl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 71753904
ethyl (2R,3R)-4-oxo-3-(2,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 96544446
ethyl (2R,3R)-4-oxo-3-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 96544319
ethyl 3-(5-methylfuran-2-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 71754395
ethyl (2R,3R)-4-oxo-3-(2,4,6-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 96544767
ethyl (2S,3S)-3-(4-hydroxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 96544841
ethyl (2S,3S)-4-oxo-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 96544463
ethyl (2S,3R)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 96544212
ethyl 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 71754256
ethyl 3-(3,5-dimethoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 71753713
ethyl (2R,3S)-3-(3,5-dimethoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 96544275
ethyl (2R,3S)-4-oxo-3-quinolin-6-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 96544696

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-3-(1-methyl-2-oxoquinolin-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate?
The IUPAC name of ethyl (2R,3R)-3-(1-methyl-2-oxoquinolin-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate (CID 96544607) is ethyl (2R,3R)-3-(1-methyl-2-oxoquinolin-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate.
What is the SMILES notation for ethyl (2R,3R)-3-(1-methyl-2-oxoquinolin-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate?
The canonical SMILES for ethyl (2R,3R)-3-(1-methyl-2-oxoquinolin-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate is CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2ccccc2n(C)c1=O.
What is the InChIKey of ethyl (2R,3R)-3-(1-methyl-2-oxoquinolin-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate?
The InChIKey is RYMCCCGKAGFXQP-WIYYLYMNSA-N. The full InChI is InChI=1S/C24H19NO6/c1-3-29-24(28)21-18(15-12-13-8-4-6-10-16(13)25(2)22(15)26)19-20(31-21)14-9-5-7-11-17(14)30-23(19)27/h4-12,18,21H,3H2,1-2H3/t18-,21-/m1/s1.
What are the key properties of ethyl (2R,3R)-3-(1-methyl-2-oxoquinolin-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate?
ethyl (2R,3R)-3-(1-methyl-2-oxoquinolin-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate has a molecular weight of 417.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-3-(1-methyl-2-oxoquinolin-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate is sourced from PubChem (CID 96544607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).