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

C23H22N2O2 — CID 4676098

IUPAC8-methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
SMILESCOc1ccc2c3c(ccc2c1)OC1(C=N3)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C23H22N2O2/c1-22(2)18-7-5-6-8-19(18)25(3)23(22)14-24-21-17-11-10-16(26-4)13-15(17)9-12-20(21)27-23/h5-14H,1-4H3
InChIKeyNDAFYCBBUQDHNH-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.07
Rot. Bonds1

About 8-methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]

8-methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole] (PubChem CID 4676098) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 8-methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole].

Molecular Properties

Compound Name8-methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
PubChem CID4676098
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name8-methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
SMILESCOc1ccc2c3c(ccc2c1)OC1(C=N3)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C23H22N2O2/c1-22(2)18-7-5-6-8-19(18)25(3)23(22)14-24-21-17-11-10-16(26-4)13-15(17)9-12-20(21)27-23/h5-14H,1-4H3
InChIKeyNDAFYCBBUQDHNH-UHFFFAOYSA-N
XLogP5.07
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]?
The IUPAC name of 8-methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole] (CID 4676098) is 8-methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole].
What is the SMILES notation for 8-methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]?
The canonical SMILES for 8-methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole] is COc1ccc2c3c(ccc2c1)OC1(C=N3)N(C)c2ccccc2C1(C)C.
What is the InChIKey of 8-methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]?
The InChIKey is NDAFYCBBUQDHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-22(2)18-7-5-6-8-19(18)25(3)23(22)14-24-21-17-11-10-16(26-4)13-15(17)9-12-20(21)27-23/h5-14H,1-4H3.
What are the key properties of 8-methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]?
8-methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole] has a molecular weight of 358.44 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole] is sourced from PubChem (CID 4676098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).