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

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Related Compounds

6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one
CID 20731315
3,3-bis(4-anilinophenyl)-6-(dimethylamino)-2-benzofuran-1-one
CID 154100598
3,3-bis[4-(dimethylamino)phenyl]-6-dimethylarsanyl-2-benzofuran-1-one
CID 87968651
6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-[2-methyl-4-[methyl(prop-2-enyl)amino]phenyl]-2-benzofuran-1-one
CID 22153994
6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(3-methyl-1H-pyrrol-2-yl)-2-benzofuran-1-one
CID 19098059
5,6-dichloro-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 20525380
bis(3',6'-bis(dimethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one);ethane
CID 158025143
3-(1-butyl-2-methylindol-3-yl)-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 58964023
3',6'-bis(dimethylamino)-6-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 134168396
6-(dimethylamino)-1'-ethylspiro[2-benzofuran-3,2'-benzo[cd]indole]-1-one
CID 20731327
3',6'-bis(dimethylamino)-6-(2-methylpropanoyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 126730967
3-[[1,1-bis[4-(dimethylamino)phenyl]-3-oxo-2-benzofuran-5-yl]-methylamino]propyl 2-methylprop-2-enoate
CID 20710250

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).