1-methylspiro[3H-indole-2,3'-benzo[f][1,4]benzoxazine]-9'-ol

C20H16N2O2 — CID 162466024

IUPAC1-methylspiro[3H-indole-2,3'-benzo[f][1,4]benzoxazine]-9'-ol
SMILESCN1c2ccccc2CC12C=Nc1c(ccc3ccc(O)cc13)O2
InChIInChI=1S/C20H16N2O2/c1-22-17-5-3-2-4-14(17)11-20(22)12-21-19-16-10-15(23)8-6-13(16)7-9-18(19)24-20/h2-10,12,23H,11H2,1H3
InChIKeyXDYQDZYSQJLSLQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.03
Rot. Bonds

About 1-methylspiro[3H-indole-2,3'-benzo[f][1,4]benzoxazine]-9'-ol

1-methylspiro[3H-indole-2,3'-benzo[f][1,4]benzoxazine]-9'-ol (PubChem CID 162466024) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-methylspiro[3H-indole-2,3'-benzo[f][1,4]benzoxazine]-9'-ol.

Molecular Properties

Compound Name1-methylspiro[3H-indole-2,3'-benzo[f][1,4]benzoxazine]-9'-ol
PubChem CID162466024
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name1-methylspiro[3H-indole-2,3'-benzo[f][1,4]benzoxazine]-9'-ol
SMILESCN1c2ccccc2CC12C=Nc1c(ccc3ccc(O)cc13)O2
InChIInChI=1S/C20H16N2O2/c1-22-17-5-3-2-4-14(17)11-20(22)12-21-19-16-10-15(23)8-6-13(16)7-9-18(19)24-20/h2-10,12,23H,11H2,1H3
InChIKeyXDYQDZYSQJLSLQ-UHFFFAOYSA-N
XLogP4.03
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylspiro[3H-indole-2,3'-benzo[f][1,4]benzoxazine]-9'-ol?
The IUPAC name of 1-methylspiro[3H-indole-2,3'-benzo[f][1,4]benzoxazine]-9'-ol (CID 162466024) is 1-methylspiro[3H-indole-2,3'-benzo[f][1,4]benzoxazine]-9'-ol.
What is the SMILES notation for 1-methylspiro[3H-indole-2,3'-benzo[f][1,4]benzoxazine]-9'-ol?
The canonical SMILES for 1-methylspiro[3H-indole-2,3'-benzo[f][1,4]benzoxazine]-9'-ol is CN1c2ccccc2CC12C=Nc1c(ccc3ccc(O)cc13)O2.
What is the InChIKey of 1-methylspiro[3H-indole-2,3'-benzo[f][1,4]benzoxazine]-9'-ol?
The InChIKey is XDYQDZYSQJLSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-22-17-5-3-2-4-14(17)11-20(22)12-21-19-16-10-15(23)8-6-13(16)7-9-18(19)24-20/h2-10,12,23H,11H2,1H3.
What are the key properties of 1-methylspiro[3H-indole-2,3'-benzo[f][1,4]benzoxazine]-9'-ol?
1-methylspiro[3H-indole-2,3'-benzo[f][1,4]benzoxazine]-9'-ol has a molecular weight of 316.36 g/mol, XLogP of 4.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylspiro[3H-indole-2,3'-benzo[f][1,4]benzoxazine]-9'-ol is sourced from PubChem (CID 162466024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).