5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]

C22H19FN2O — CID 19084284

IUPAC5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
SMILESCN1c2ccc(F)cc2C(C)(C)C12C=Cc1ccc3cccnc3c1O2
InChIInChI=1S/C22H19FN2O/c1-21(2)17-13-16(23)8-9-18(17)25(3)22(21)11-10-15-7-6-14-5-4-12-24-19(14)20(15)26-22/h4-13H,1-3H3
InChIKeyYRZOWYFEFZZUKL-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.90
Rot. Bonds

About 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]

5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] (PubChem CID 19084284) has the molecular formula C22H19FN2O and a molecular weight of 346.41 g/mol. Its IUPAC name is 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline].

Molecular Properties

Compound Name5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
PubChem CID19084284
Molecular FormulaC22H19FN2O
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Name5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
SMILESCN1c2ccc(F)cc2C(C)(C)C12C=Cc1ccc3cccnc3c1O2
InChIInChI=1S/C22H19FN2O/c1-21(2)17-13-16(23)8-9-18(17)25(3)22(21)11-10-15-7-6-14-5-4-12-24-19(14)20(15)26-22/h4-13H,1-3H3
InChIKeyYRZOWYFEFZZUKL-UHFFFAOYSA-N
XLogP4.90
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] 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 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
The IUPAC name of 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] (CID 19084284) is 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline].
What is the SMILES notation for 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
The canonical SMILES for 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] is CN1c2ccc(F)cc2C(C)(C)C12C=Cc1ccc3cccnc3c1O2.
What is the InChIKey of 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
The InChIKey is YRZOWYFEFZZUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O/c1-21(2)17-13-16(23)8-9-18(17)25(3)22(21)11-10-15-7-6-14-5-4-12-24-19(14)20(15)26-22/h4-13H,1-3H3.
What are the key properties of 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] has a molecular weight of 346.41 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] is sourced from PubChem (CID 19084284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).