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

C21H19N3O — CID 14793803

IUPAC1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]
SMILESCN1c2ccccc2C(C)(C)C12C=Nc1c(ccc3ccncc13)O2
InChIInChI=1S/C21H19N3O/c1-20(2)16-6-4-5-7-17(16)24(3)21(20)13-23-19-15-12-22-11-10-14(15)8-9-18(19)25-21/h4-13H,1-3H3
InChIKeyYNHKRBMTXDETNR-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.45
Rot. Bonds

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

1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine] (PubChem CID 14793803) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine].

Molecular Properties

Compound Name1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]
PubChem CID14793803
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]
SMILESCN1c2ccccc2C(C)(C)C12C=Nc1c(ccc3ccncc13)O2
InChIInChI=1S/C21H19N3O/c1-20(2)16-6-4-5-7-17(16)24(3)21(20)13-23-19-15-12-22-11-10-14(15)8-9-18(19)25-21/h4-13H,1-3H3
InChIKeyYNHKRBMTXDETNR-UHFFFAOYSA-N
XLogP4.45
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]?
The IUPAC name of 1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine] (CID 14793803) is 1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine].
What is the SMILES notation for 1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]?
The canonical SMILES for 1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine] is CN1c2ccccc2C(C)(C)C12C=Nc1c(ccc3ccncc13)O2.
What is the InChIKey of 1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]?
The InChIKey is YNHKRBMTXDETNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-20(2)16-6-4-5-7-17(16)24(3)21(20)13-23-19-15-12-22-11-10-14(15)8-9-18(19)25-21/h4-13H,1-3H3.
What are the key properties of 1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]?
1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine] has a molecular weight of 329.40 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine] is sourced from PubChem (CID 14793803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).