6-(dimethylamino)-3-[3-(dimethylamino)phenyl]-3-(1-methylpyrrol-3-yl)-2-benzofuran-1-one

C23H25N3O2 — CID 122615141

IUPAC6-(dimethylamino)-3-[3-(dimethylamino)phenyl]-3-(1-methylpyrrol-3-yl)-2-benzofuran-1-one
SMILESCN(C)c1cccc(C2(c3ccn(C)c3)OC(=O)c3cc(N(C)C)ccc32)c1
InChIInChI=1S/C23H25N3O2/c1-24(2)18-8-6-7-16(13-18)23(17-11-12-26(5)15-17)21-10-9-19(25(3)4)14-20(21)22(27)28-23/h6-15H,1-5H3
InChIKeyGTYWKYBORIDCKA-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.62
Rot. Bonds4

About 6-(dimethylamino)-3-[3-(dimethylamino)phenyl]-3-(1-methylpyrrol-3-yl)-2-benzofuran-1-one

6-(dimethylamino)-3-[3-(dimethylamino)phenyl]-3-(1-methylpyrrol-3-yl)-2-benzofuran-1-one (PubChem CID 122615141) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 6-(dimethylamino)-3-[3-(dimethylamino)phenyl]-3-(1-methylpyrrol-3-yl)-2-benzofuran-1-one.

Molecular Properties

Compound Name6-(dimethylamino)-3-[3-(dimethylamino)phenyl]-3-(1-methylpyrrol-3-yl)-2-benzofuran-1-one
PubChem CID122615141
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name6-(dimethylamino)-3-[3-(dimethylamino)phenyl]-3-(1-methylpyrrol-3-yl)-2-benzofuran-1-one
SMILESCN(C)c1cccc(C2(c3ccn(C)c3)OC(=O)c3cc(N(C)C)ccc32)c1
InChIInChI=1S/C23H25N3O2/c1-24(2)18-8-6-7-16(13-18)23(17-11-12-26(5)15-17)21-10-9-19(25(3)4)14-20(21)22(27)28-23/h6-15H,1-5H3
InChIKeyGTYWKYBORIDCKA-UHFFFAOYSA-N
XLogP3.62
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(dimethylamino)-3-[3-(dimethylamino)phenyl]-3-(1-methylpyrrol-3-yl)-2-benzofuran-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-3-[3-(dimethylamino)phenyl]-3-(1-methylpyrrol-3-yl)-2-benzofuran-1-one?
The IUPAC name of 6-(dimethylamino)-3-[3-(dimethylamino)phenyl]-3-(1-methylpyrrol-3-yl)-2-benzofuran-1-one (CID 122615141) is 6-(dimethylamino)-3-[3-(dimethylamino)phenyl]-3-(1-methylpyrrol-3-yl)-2-benzofuran-1-one.
What is the SMILES notation for 6-(dimethylamino)-3-[3-(dimethylamino)phenyl]-3-(1-methylpyrrol-3-yl)-2-benzofuran-1-one?
The canonical SMILES for 6-(dimethylamino)-3-[3-(dimethylamino)phenyl]-3-(1-methylpyrrol-3-yl)-2-benzofuran-1-one is CN(C)c1cccc(C2(c3ccn(C)c3)OC(=O)c3cc(N(C)C)ccc32)c1.
What is the InChIKey of 6-(dimethylamino)-3-[3-(dimethylamino)phenyl]-3-(1-methylpyrrol-3-yl)-2-benzofuran-1-one?
The InChIKey is GTYWKYBORIDCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-24(2)18-8-6-7-16(13-18)23(17-11-12-26(5)15-17)21-10-9-19(25(3)4)14-20(21)22(27)28-23/h6-15H,1-5H3.
What are the key properties of 6-(dimethylamino)-3-[3-(dimethylamino)phenyl]-3-(1-methylpyrrol-3-yl)-2-benzofuran-1-one?
6-(dimethylamino)-3-[3-(dimethylamino)phenyl]-3-(1-methylpyrrol-3-yl)-2-benzofuran-1-one has a molecular weight of 375.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3-[3-(dimethylamino)phenyl]-3-(1-methylpyrrol-3-yl)-2-benzofuran-1-one is sourced from PubChem (CID 122615141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).