5,8-ditert-butylquinoline;ethane

C19H29N — CID 142102448

IUPAC5,8-ditert-butylquinoline;ethane
SMILESCC.CC(C)(C)c1ccc(C(C)(C)C)c2ncccc12
InChIInChI=1S/C17H23N.C2H6/c1-16(2,3)13-9-10-14(17(4,5)6)15-12(13)8-7-11-18-15;1-2/h7-11H,1-6H3;1-2H3
InChIKeyBIUJQDXLOZYFAN-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.86
Rot. Bonds

About 5,8-ditert-butylquinoline;ethane

5,8-ditert-butylquinoline;ethane (PubChem CID 142102448) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 5,8-ditert-butylquinoline;ethane.

Molecular Properties

Compound Name5,8-ditert-butylquinoline;ethane
PubChem CID142102448
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name5,8-ditert-butylquinoline;ethane
SMILESCC.CC(C)(C)c1ccc(C(C)(C)C)c2ncccc12
InChIInChI=1S/C17H23N.C2H6/c1-16(2,3)13-9-10-14(17(4,5)6)15-12(13)8-7-11-18-15;1-2/h7-11H,1-6H3;1-2H3
InChIKeyBIUJQDXLOZYFAN-UHFFFAOYSA-N
XLogP5.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,8-ditert-butylquinoline;ethane 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 5,8-ditert-butylquinoline;ethane?
The IUPAC name of 5,8-ditert-butylquinoline;ethane (CID 142102448) is 5,8-ditert-butylquinoline;ethane.
What is the SMILES notation for 5,8-ditert-butylquinoline;ethane?
The canonical SMILES for 5,8-ditert-butylquinoline;ethane is CC.CC(C)(C)c1ccc(C(C)(C)C)c2ncccc12.
What is the InChIKey of 5,8-ditert-butylquinoline;ethane?
The InChIKey is BIUJQDXLOZYFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N.C2H6/c1-16(2,3)13-9-10-14(17(4,5)6)15-12(13)8-7-11-18-15;1-2/h7-11H,1-6H3;1-2H3.
What are the key properties of 5,8-ditert-butylquinoline;ethane?
5,8-ditert-butylquinoline;ethane has a molecular weight of 271.45 g/mol, XLogP of 5.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-ditert-butylquinoline;ethane is sourced from PubChem (CID 142102448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).