2-ethoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]

C24H24N2O2 — CID 91425625

IUPAC2-ethoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
SMILESCCOC1=Nc2c(ccc3ccccc23)OC12N(C)c1ccccc1C2(C)C
InChIInChI=1S/C24H24N2O2/c1-5-27-22-24(23(2,3)18-12-8-9-13-19(18)26(24)4)28-20-15-14-16-10-6-7-11-17(16)21(20)25-22/h6-15H,5H2,1-4H3
InChIKeyALFQGXOJAWPNJD-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.42
Rot. Bonds1

About 2-ethoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]

2-ethoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole] (PubChem CID 91425625) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-ethoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole].

Molecular Properties

Compound Name2-ethoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
PubChem CID91425625
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-ethoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
SMILESCCOC1=Nc2c(ccc3ccccc23)OC12N(C)c1ccccc1C2(C)C
InChIInChI=1S/C24H24N2O2/c1-5-27-22-24(23(2,3)18-12-8-9-13-19(18)26(24)4)28-20-15-14-16-10-6-7-11-17(16)21(20)25-22/h6-15H,5H2,1-4H3
InChIKeyALFQGXOJAWPNJD-UHFFFAOYSA-N
XLogP5.42
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]?
The IUPAC name of 2-ethoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole] (CID 91425625) is 2-ethoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole].
What is the SMILES notation for 2-ethoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]?
The canonical SMILES for 2-ethoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole] is CCOC1=Nc2c(ccc3ccccc23)OC12N(C)c1ccccc1C2(C)C.
What is the InChIKey of 2-ethoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]?
The InChIKey is ALFQGXOJAWPNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-5-27-22-24(23(2,3)18-12-8-9-13-19(18)26(24)4)28-20-15-14-16-10-6-7-11-17(16)21(20)25-22/h6-15H,5H2,1-4H3.
What are the key properties of 2-ethoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]?
2-ethoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole] has a molecular weight of 372.47 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole] is sourced from PubChem (CID 91425625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).