1-ethyl-3,3,6'-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]

C24H24N2O — CID 19083981

IUPAC1-ethyl-3,3,6'-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
SMILESCCN1c2ccccc2C(C)(C)C12C=Cc1cc(C)c3cccnc3c1O2
InChIInChI=1S/C24H24N2O/c1-5-26-20-11-7-6-10-19(20)23(3,4)24(26)13-12-17-15-16(2)18-9-8-14-25-21(18)22(17)27-24/h6-15H,5H2,1-4H3
InChIKeyHORGYGREGAYSHR-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.46
Rot. Bonds1

About 1-ethyl-3,3,6'-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]

1-ethyl-3,3,6'-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] (PubChem CID 19083981) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-ethyl-3,3,6'-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline].

Molecular Properties

Compound Name1-ethyl-3,3,6'-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
PubChem CID19083981
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name1-ethyl-3,3,6'-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
SMILESCCN1c2ccccc2C(C)(C)C12C=Cc1cc(C)c3cccnc3c1O2
InChIInChI=1S/C24H24N2O/c1-5-26-20-11-7-6-10-19(20)23(3,4)24(26)13-12-17-15-16(2)18-9-8-14-25-21(18)22(17)27-24/h6-15H,5H2,1-4H3
InChIKeyHORGYGREGAYSHR-UHFFFAOYSA-N
XLogP5.46
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3,6'-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
The IUPAC name of 1-ethyl-3,3,6'-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] (CID 19083981) is 1-ethyl-3,3,6'-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline].
What is the SMILES notation for 1-ethyl-3,3,6'-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
The canonical SMILES for 1-ethyl-3,3,6'-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] is CCN1c2ccccc2C(C)(C)C12C=Cc1cc(C)c3cccnc3c1O2.
What is the InChIKey of 1-ethyl-3,3,6'-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
The InChIKey is HORGYGREGAYSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-5-26-20-11-7-6-10-19(20)23(3,4)24(26)13-12-17-15-16(2)18-9-8-14-25-21(18)22(17)27-24/h6-15H,5H2,1-4H3.
What are the key properties of 1-ethyl-3,3,6'-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
1-ethyl-3,3,6'-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] has a molecular weight of 356.47 g/mol, XLogP of 5.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3,6'-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] is sourced from PubChem (CID 19083981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).