[2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

C26H21NO7 — CID 5059337

IUPAC[2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOc1ccc(N2CC(C(=O)Oc3c(-c4ccco4)oc4cc(C)ccc4c3=O)CC2=O)cc1
InChIInChI=1S/C26H21NO7/c1-15-5-10-19-21(12-15)33-24(20-4-3-11-32-20)25(23(19)29)34-26(30)16-13-22(28)27(14-16)17-6-8-18(31-2)9-7-17/h3-12,16H,13-14H2,1-2H3
InChIKeyWIOZHZFEQXTINA-UHFFFAOYSA-N
MW459.45 g/mol
LogP4.33
Rot. Bonds5

About [2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

[2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 5059337) has the molecular formula C26H21NO7 and a molecular weight of 459.45 g/mol. Its IUPAC name is [2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID5059337
Molecular FormulaC26H21NO7
Molecular Weight459.45 g/mol
Exact Mass459.13
IUPAC Name[2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOc1ccc(N2CC(C(=O)Oc3c(-c4ccco4)oc4cc(C)ccc4c3=O)CC2=O)cc1
InChIInChI=1S/C26H21NO7/c1-15-5-10-19-21(12-15)33-24(20-4-3-11-32-20)25(23(19)29)34-26(30)16-13-22(28)27(14-16)17-6-8-18(31-2)9-7-17/h3-12,16H,13-14H2,1-2H3
InChIKeyWIOZHZFEQXTINA-UHFFFAOYSA-N
XLogP4.33
TPSA99.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 4302198
(4-methoxyphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057140
(4-formylphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057130
(4-methoxyphenyl) (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 7220496
(2,5-dimethylphenyl) (3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056899
(4-benzylphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057134
(4-methoxyphenyl) 1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 42999797
(4-methoxycarbonylphenyl) (3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057135
(4-formylphenyl) (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056824
(4-methoxyphenyl) 1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 43044149
1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide
CID 46569122
[2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 3491095

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 5059337) is [2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is COc1ccc(N2CC(C(=O)Oc3c(-c4ccco4)oc4cc(C)ccc4c3=O)CC2=O)cc1.
What is the InChIKey of [2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is WIOZHZFEQXTINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO7/c1-15-5-10-19-21(12-15)33-24(20-4-3-11-32-20)25(23(19)29)34-26(30)16-13-22(28)27(14-16)17-6-8-18(31-2)9-7-17/h3-12,16H,13-14H2,1-2H3.
What are the key properties of [2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
[2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 459.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 5059337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).