1-(2,3-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H26N2O5 — CID 664531

IUPAC1-(2,3-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1OC
InChIInChI=1S/C24H26N2O5/c1-25(2)13-8-14-26-20(16-10-7-12-18(29-3)22(16)30-4)19-21(27)15-9-5-6-11-17(15)31-23(19)24(26)28/h5-7,9-12,20H,8,13-14H2,1-4H3
InChIKeyHSTJUTBDQNQWLE-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.31
Rot. Bonds7

About 1-(2,3-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(2,3-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 664531) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID664531
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name1-(2,3-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1OC
InChIInChI=1S/C24H26N2O5/c1-25(2)13-8-14-26-20(16-10-7-12-18(29-3)22(16)30-4)19-21(27)15-9-5-6-11-17(15)31-23(19)24(26)28/h5-7,9-12,20H,8,13-14H2,1-4H3
InChIKeyHSTJUTBDQNQWLE-UHFFFAOYSA-N
XLogP3.31
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 664531) is 1-(2,3-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is HSTJUTBDQNQWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-25(2)13-8-14-26-20(16-10-7-12-18(29-3)22(16)30-4)19-21(27)15-9-5-6-11-17(15)31-23(19)24(26)28/h5-7,9-12,20H,8,13-14H2,1-4H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(2,3-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 422.48 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 664531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).