1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H25NO6 — CID 18890762

IUPAC1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H25NO6/c1-13-10-14(2)19-18(11-13)31-23-20(22(19)26)21(25(24(23)27)8-9-28-3)15-6-7-16(29-4)17(12-15)30-5/h6-7,10-12,21H,8-9H2,1-5H3
InChIKeyJTQXFUAFKSOJJT-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.62
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18890762) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18890762
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H25NO6/c1-13-10-14(2)19-18(11-13)31-23-20(22(19)26)21(25(24(23)27)8-9-28-3)15-6-7-16(29-4)17(12-15)30-5/h6-7,10-12,21H,8-9H2,1-5H3
InChIKeyJTQXFUAFKSOJJT-UHFFFAOYSA-N
XLogP3.62
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890764
2-(2-methoxyethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108730
2-(2-methoxyethyl)-6,8-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109109
1-(4-ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890726
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890705
1-(4-butoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890875
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109178
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890941
2-(2-hydroxyethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109174
1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890732
1-(4-tert-butylphenyl)-2-(3-methoxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890746
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143691

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18890762) is 1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JTQXFUAFKSOJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-13-10-14(2)19-18(11-13)31-23-20(22(19)26)21(25(24(23)27)8-9-28-3)15-6-7-16(29-4)17(12-15)30-5/h6-7,10-12,21H,8-9H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 423.47 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18890762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).