8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole

C26H33N3 — CID 160508334

IUPAC8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole
SMILESC=C1C=Cc2cccc(C(C)(C)C)c2N1.Cn1nc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C14H17N.C12H16N2/c1-10-8-9-11-6-5-7-12(13(11)15-10)14(2,3)4;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11/h5-9,15H,1H2,2-4H3;5-8H,1-4H3
InChIKeyQSSDMNPDFUNELJ-UHFFFAOYSA-N
MW387.57 g/mol
LogP6.81
Rot. Bonds

About 8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole

8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole (PubChem CID 160508334) has the molecular formula C26H33N3 and a molecular weight of 387.57 g/mol. Its IUPAC name is 8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole.

Molecular Properties

Compound Name8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole
PubChem CID160508334
Molecular FormulaC26H33N3
Molecular Weight387.57 g/mol
Exact Mass387.27
IUPAC Name8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole
SMILESC=C1C=Cc2cccc(C(C)(C)C)c2N1.Cn1nc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C14H17N.C12H16N2/c1-10-8-9-11-6-5-7-12(13(11)15-10)14(2,3)4;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11/h5-9,15H,1H2,2-4H3;5-8H,1-4H3
InChIKeyQSSDMNPDFUNELJ-UHFFFAOYSA-N
XLogP6.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.57
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole?
The IUPAC name of 8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole (CID 160508334) is 8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole.
What is the SMILES notation for 8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole?
The canonical SMILES for 8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole is C=C1C=Cc2cccc(C(C)(C)C)c2N1.Cn1nc(C(C)(C)C)c2ccccc21.
What is the InChIKey of 8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole?
The InChIKey is QSSDMNPDFUNELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.C12H16N2/c1-10-8-9-11-6-5-7-12(13(11)15-10)14(2,3)4;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11/h5-9,15H,1H2,2-4H3;5-8H,1-4H3.
What are the key properties of 8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole?
8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole has a molecular weight of 387.57 g/mol, XLogP of 6.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole is sourced from PubChem (CID 160508334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).