6-(dimethylamino)-1'-ethylspiro[2-benzofuran-3,2'-benzo[cd]indole]-1-one

C22H20N2O2 — CID 20731327

IUPAC6-(dimethylamino)-1'-ethylspiro[2-benzofuran-3,2'-benzo[cd]indole]-1-one
SMILESCCN1c2cccc3cccc(c23)C12OC(=O)c1cc(N(C)C)ccc12
InChIInChI=1S/C22H20N2O2/c1-4-24-19-10-6-8-14-7-5-9-18(20(14)19)22(24)17-12-11-15(23(2)3)13-16(17)21(25)26-22/h5-13H,4H2,1-3H3
InChIKeyIQZMPRIJFRXDJV-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.12
Rot. Bonds2

About 6-(dimethylamino)-1'-ethylspiro[2-benzofuran-3,2'-benzo[cd]indole]-1-one

6-(dimethylamino)-1'-ethylspiro[2-benzofuran-3,2'-benzo[cd]indole]-1-one (PubChem CID 20731327) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 6-(dimethylamino)-1'-ethylspiro[2-benzofuran-3,2'-benzo[cd]indole]-1-one.

Molecular Properties

Compound Name6-(dimethylamino)-1'-ethylspiro[2-benzofuran-3,2'-benzo[cd]indole]-1-one
PubChem CID20731327
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name6-(dimethylamino)-1'-ethylspiro[2-benzofuran-3,2'-benzo[cd]indole]-1-one
SMILESCCN1c2cccc3cccc(c23)C12OC(=O)c1cc(N(C)C)ccc12
InChIInChI=1S/C22H20N2O2/c1-4-24-19-10-6-8-14-7-5-9-18(20(14)19)22(24)17-12-11-15(23(2)3)13-16(17)21(25)26-22/h5-13H,4H2,1-3H3
InChIKeyIQZMPRIJFRXDJV-UHFFFAOYSA-N
XLogP4.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1'-ethylspiro[2-benzofuran-3,2'-benzo[cd]indole]-1-one?
The IUPAC name of 6-(dimethylamino)-1'-ethylspiro[2-benzofuran-3,2'-benzo[cd]indole]-1-one (CID 20731327) is 6-(dimethylamino)-1'-ethylspiro[2-benzofuran-3,2'-benzo[cd]indole]-1-one.
What is the SMILES notation for 6-(dimethylamino)-1'-ethylspiro[2-benzofuran-3,2'-benzo[cd]indole]-1-one?
The canonical SMILES for 6-(dimethylamino)-1'-ethylspiro[2-benzofuran-3,2'-benzo[cd]indole]-1-one is CCN1c2cccc3cccc(c23)C12OC(=O)c1cc(N(C)C)ccc12.
What is the InChIKey of 6-(dimethylamino)-1'-ethylspiro[2-benzofuran-3,2'-benzo[cd]indole]-1-one?
The InChIKey is IQZMPRIJFRXDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-4-24-19-10-6-8-14-7-5-9-18(20(14)19)22(24)17-12-11-15(23(2)3)13-16(17)21(25)26-22/h5-13H,4H2,1-3H3.
What are the key properties of 6-(dimethylamino)-1'-ethylspiro[2-benzofuran-3,2'-benzo[cd]indole]-1-one?
6-(dimethylamino)-1'-ethylspiro[2-benzofuran-3,2'-benzo[cd]indole]-1-one has a molecular weight of 344.41 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1'-ethylspiro[2-benzofuran-3,2'-benzo[cd]indole]-1-one is sourced from PubChem (CID 20731327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).