spiro[1,3-dihydroindole-2,3'-benzo[f][1,4]benzoxazine]

C19H14N2O — CID 14070046

IUPACspiro[1,3-dihydroindole-2,3'-benzo[f][1,4]benzoxazine]
SMILESC1=Nc2c(ccc3ccccc23)OC12Cc1ccccc1N2
InChIInChI=1S/C19H14N2O/c1-3-7-15-13(5-1)9-10-17-18(15)20-12-19(22-17)11-14-6-2-4-8-16(14)21-19/h1-10,12,21H,11H2
InChIKeyIAHPADQGUAKOQZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.30
Rot. Bonds

About spiro[1,3-dihydroindole-2,3'-benzo[f][1,4]benzoxazine]

spiro[1,3-dihydroindole-2,3'-benzo[f][1,4]benzoxazine] (PubChem CID 14070046) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is spiro[1,3-dihydroindole-2,3'-benzo[f][1,4]benzoxazine].

Molecular Properties

Compound Namespiro[1,3-dihydroindole-2,3'-benzo[f][1,4]benzoxazine]
PubChem CID14070046
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Namespiro[1,3-dihydroindole-2,3'-benzo[f][1,4]benzoxazine]
SMILESC1=Nc2c(ccc3ccccc23)OC12Cc1ccccc1N2
InChIInChI=1S/C19H14N2O/c1-3-7-15-13(5-1)9-10-17-18(15)20-12-19(22-17)11-14-6-2-4-8-16(14)21-19/h1-10,12,21H,11H2
InChIKeyIAHPADQGUAKOQZ-UHFFFAOYSA-N
XLogP4.30
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dihydroindole-2,3'-benzo[f][1,4]benzoxazine]?
The IUPAC name of spiro[1,3-dihydroindole-2,3'-benzo[f][1,4]benzoxazine] (CID 14070046) is spiro[1,3-dihydroindole-2,3'-benzo[f][1,4]benzoxazine].
What is the SMILES notation for spiro[1,3-dihydroindole-2,3'-benzo[f][1,4]benzoxazine]?
The canonical SMILES for spiro[1,3-dihydroindole-2,3'-benzo[f][1,4]benzoxazine] is C1=Nc2c(ccc3ccccc23)OC12Cc1ccccc1N2.
What is the InChIKey of spiro[1,3-dihydroindole-2,3'-benzo[f][1,4]benzoxazine]?
The InChIKey is IAHPADQGUAKOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c1-3-7-15-13(5-1)9-10-17-18(15)20-12-19(22-17)11-14-6-2-4-8-16(14)21-19/h1-10,12,21H,11H2.
What are the key properties of spiro[1,3-dihydroindole-2,3'-benzo[f][1,4]benzoxazine]?
spiro[1,3-dihydroindole-2,3'-benzo[f][1,4]benzoxazine] has a molecular weight of 286.33 g/mol, XLogP of 4.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dihydroindole-2,3'-benzo[f][1,4]benzoxazine] is sourced from PubChem (CID 14070046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).