5-fluoro-1,3,3,6'-tetramethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]

C23H21FN2O — CID 19083939

IUPAC5-fluoro-1,3,3,6'-tetramethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
SMILESCc1cc2c(c3ncccc13)OC1(C=C2)N(C)c2ccc(F)cc2C1(C)C
InChIInChI=1S/C23H21FN2O/c1-14-12-15-9-10-23(27-21(15)20-17(14)6-5-11-25-20)22(2,3)18-13-16(24)7-8-19(18)26(23)4/h5-13H,1-4H3
InChIKeyZXUUWVNOTHFSNI-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.21
Rot. Bonds

About 5-fluoro-1,3,3,6'-tetramethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]

5-fluoro-1,3,3,6'-tetramethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] (PubChem CID 19083939) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is 5-fluoro-1,3,3,6'-tetramethylspiro[indole-2,2'-pyrano[3,2-h]quinoline].

Molecular Properties

Compound Name5-fluoro-1,3,3,6'-tetramethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
PubChem CID19083939
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Name5-fluoro-1,3,3,6'-tetramethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
SMILESCc1cc2c(c3ncccc13)OC1(C=C2)N(C)c2ccc(F)cc2C1(C)C
InChIInChI=1S/C23H21FN2O/c1-14-12-15-9-10-23(27-21(15)20-17(14)6-5-11-25-20)22(2,3)18-13-16(24)7-8-19(18)26(23)4/h5-13H,1-4H3
InChIKeyZXUUWVNOTHFSNI-UHFFFAOYSA-N
XLogP5.21
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3,3,6'-tetramethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
The IUPAC name of 5-fluoro-1,3,3,6'-tetramethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] (CID 19083939) is 5-fluoro-1,3,3,6'-tetramethylspiro[indole-2,2'-pyrano[3,2-h]quinoline].
What is the SMILES notation for 5-fluoro-1,3,3,6'-tetramethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
The canonical SMILES for 5-fluoro-1,3,3,6'-tetramethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] is Cc1cc2c(c3ncccc13)OC1(C=C2)N(C)c2ccc(F)cc2C1(C)C.
What is the InChIKey of 5-fluoro-1,3,3,6'-tetramethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
The InChIKey is ZXUUWVNOTHFSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O/c1-14-12-15-9-10-23(27-21(15)20-17(14)6-5-11-25-20)22(2,3)18-13-16(24)7-8-19(18)26(23)4/h5-13H,1-4H3.
What are the key properties of 5-fluoro-1,3,3,6'-tetramethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
5-fluoro-1,3,3,6'-tetramethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] has a molecular weight of 360.43 g/mol, XLogP of 5.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3,3,6'-tetramethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] is sourced from PubChem (CID 19083939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).