5,8-ditert-butylindazolo[2,3-a]quinoline

C23H26N2 — CID 140607242

IUPAC5,8-ditert-butylindazolo[2,3-a]quinoline
SMILESCC(C)(C)c1ccc2nn3c4ccccc4c(C(C)(C)C)cc3c2c1
InChIInChI=1S/C23H26N2/c1-22(2,3)15-11-12-19-17(13-15)21-14-18(23(4,5)6)16-9-7-8-10-20(16)25(21)24-19/h7-14H,1-6H3
InChIKeyLJZLTFVELOZYAQ-UHFFFAOYSA-N
MW330.48 g/mol
LogP6.24
Rot. Bonds

About 5,8-ditert-butylindazolo[2,3-a]quinoline

5,8-ditert-butylindazolo[2,3-a]quinoline (PubChem CID 140607242) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 5,8-ditert-butylindazolo[2,3-a]quinoline.

Molecular Properties

Compound Name5,8-ditert-butylindazolo[2,3-a]quinoline
PubChem CID140607242
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name5,8-ditert-butylindazolo[2,3-a]quinoline
SMILESCC(C)(C)c1ccc2nn3c4ccccc4c(C(C)(C)C)cc3c2c1
InChIInChI=1S/C23H26N2/c1-22(2,3)15-11-12-19-17(13-15)21-14-18(23(4,5)6)16-9-7-8-10-20(16)25(21)24-19/h7-14H,1-6H3
InChIKeyLJZLTFVELOZYAQ-UHFFFAOYSA-N
XLogP6.24
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-ditert-butylindazolo[2,3-a]quinoline?
The IUPAC name of 5,8-ditert-butylindazolo[2,3-a]quinoline (CID 140607242) is 5,8-ditert-butylindazolo[2,3-a]quinoline.
What is the SMILES notation for 5,8-ditert-butylindazolo[2,3-a]quinoline?
The canonical SMILES for 5,8-ditert-butylindazolo[2,3-a]quinoline is CC(C)(C)c1ccc2nn3c4ccccc4c(C(C)(C)C)cc3c2c1.
What is the InChIKey of 5,8-ditert-butylindazolo[2,3-a]quinoline?
The InChIKey is LJZLTFVELOZYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-22(2,3)15-11-12-19-17(13-15)21-14-18(23(4,5)6)16-9-7-8-10-20(16)25(21)24-19/h7-14H,1-6H3.
What are the key properties of 5,8-ditert-butylindazolo[2,3-a]quinoline?
5,8-ditert-butylindazolo[2,3-a]quinoline has a molecular weight of 330.48 g/mol, XLogP of 6.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-ditert-butylindazolo[2,3-a]quinoline is sourced from PubChem (CID 140607242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).