2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H25NO5 — CID 18880950

IUPAC2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccccc2)cc1OC
InChIInChI=1S/C28H25NO5/c1-16-12-17(2)26-20(13-16)25(30)23-24(19-10-11-21(32-3)22(14-19)33-4)29(28(31)27(23)34-26)15-18-8-6-5-7-9-18/h5-14,24H,15H2,1-4H3
InChIKeyMXIODLQYFYDJKA-UHFFFAOYSA-N
MW455.51 g/mol
LogP5.17
Rot. Bonds5

About 2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18880950) has the molecular formula C28H25NO5 and a molecular weight of 455.51 g/mol. Its IUPAC name is 2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18880950
Molecular FormulaC28H25NO5
Molecular Weight455.51 g/mol
Exact Mass455.17
IUPAC Name2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccccc2)cc1OC
InChIInChI=1S/C28H25NO5/c1-16-12-17(2)26-20(13-16)25(30)23-24(19-10-11-21(32-3)22(14-19)33-4)29(28(31)27(23)34-26)15-18-8-6-5-7-9-18/h5-14,24H,15H2,1-4H3
InChIKeyMXIODLQYFYDJKA-UHFFFAOYSA-N
XLogP5.17
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2033196
2-(3-hydroxypropyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880576
1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880816
2-benzyl-1-(3-bromophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880942
1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18881262
1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 666414
2-benzyl-5,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880970
2-benzyl-7-bromo-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5136138
1-(3,4-dichlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18881208
2-benzyl-5,7-dimethyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880966
1-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18881157
2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880935

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18880950) is 2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccccc2)cc1OC.
What is the InChIKey of 2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MXIODLQYFYDJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO5/c1-16-12-17(2)26-20(13-16)25(30)23-24(19-10-11-21(32-3)22(14-19)33-4)29(28(31)27(23)34-26)15-18-8-6-5-7-9-18/h5-14,24H,15H2,1-4H3.
What are the key properties of 2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 455.51 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18880950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).