2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H28N2O4 — CID 5053070

IUPAC2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)c1
InChIInChI=1S/C25H28N2O4/c1-15-12-19-20(13-16(15)2)31-24-21(23(19)28)22(17-8-6-9-18(14-17)30-5)27(25(24)29)11-7-10-26(3)4/h6,8-9,12-14,22H,7,10-11H2,1-5H3
InChIKeySHOZPGXGSUJDIG-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.92
Rot. Bonds6

About 2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 5053070) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID5053070
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)c1
InChIInChI=1S/C25H28N2O4/c1-15-12-19-20(13-16(15)2)31-24-21(23(19)28)22(17-8-6-9-18(14-17)30-5)27(25(24)29)11-7-10-26(3)4/h6,8-9,12-14,22H,7,10-11H2,1-5H3
InChIKeySHOZPGXGSUJDIG-UHFFFAOYSA-N
XLogP3.92
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 5053070) is 2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)c1.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is SHOZPGXGSUJDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-15-12-19-20(13-16(15)2)31-24-21(23(19)28)22(17-8-6-9-18(14-17)30-5)27(25(24)29)11-7-10-26(3)4/h6,8-9,12-14,22H,7,10-11H2,1-5H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 420.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 5053070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).