methyl 4-[2-(2-methoxyethyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate

C24H23NO6 — CID 3547774

IUPACmethyl 4-[2-(2-methoxyethyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
SMILESCOCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(C(=O)OC)cc1
InChIInChI=1S/C24H23NO6/c1-13-11-17-18(12-14(13)2)31-22-19(21(17)26)20(25(23(22)27)9-10-29-3)15-5-7-16(8-6-15)24(28)30-4/h5-8,11-12,20H,9-10H2,1-4H3
InChIKeyNMNSWDANMPNGGO-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.39
Rot. Bonds5

About methyl 4-[2-(2-methoxyethyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate

methyl 4-[2-(2-methoxyethyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate (PubChem CID 3547774) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is methyl 4-[2-(2-methoxyethyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(2-methoxyethyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
PubChem CID3547774
Molecular FormulaC24H23NO6
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC Namemethyl 4-[2-(2-methoxyethyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
SMILESCOCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(C(=O)OC)cc1
InChIInChI=1S/C24H23NO6/c1-13-11-17-18(12-14(13)2)31-22-19(21(17)26)20(25(23(22)27)9-10-29-3)15-5-7-16(8-6-15)24(28)30-4/h5-8,11-12,20H,9-10H2,1-4H3
InChIKeyNMNSWDANMPNGGO-UHFFFAOYSA-N
XLogP3.39
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-(2-methoxyethyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-methoxyethyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate?
The IUPAC name of methyl 4-[2-(2-methoxyethyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate (CID 3547774) is methyl 4-[2-(2-methoxyethyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate.
What is the SMILES notation for methyl 4-[2-(2-methoxyethyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate?
The canonical SMILES for methyl 4-[2-(2-methoxyethyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate is COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[2-(2-methoxyethyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate?
The InChIKey is NMNSWDANMPNGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO6/c1-13-11-17-18(12-14(13)2)31-22-19(21(17)26)20(25(23(22)27)9-10-29-3)15-5-7-16(8-6-15)24(28)30-4/h5-8,11-12,20H,9-10H2,1-4H3.
What are the key properties of methyl 4-[2-(2-methoxyethyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate?
methyl 4-[2-(2-methoxyethyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate has a molecular weight of 421.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-methoxyethyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate is sourced from PubChem (CID 3547774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).