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

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Related Compounds

8-tert-butyl-5-methyl-1,6-naphthyridine
CID 170078486
8-tert-butyl-5-piperidin-1-ylsulfonylquinoline;methane
CID 159706834
3-tert-butyl-2-methylpyridine;ethane
CID 90980079
4-tert-butyl-8-chloroquinoline
CID 59637005
5-[1-(8-tert-butylquinolin-5-yl)-2-methylpropan-2-yl]-8-(2-methyl-2-quinolin-4-ylpropyl)quinoline
CID 138750048
7-tert-butyl-8-methylquinoline
CID 146326372
2-(4-tert-butylnaphthalen-1-yl)pyridine
CID 171748905
5,8-ditert-butylquinazoline
CID 20760010
3,8-ditert-butyl-4-methoxyquinoline
CID 129258195
bis(4-tert-butylquinoline);ethane;methane
CID 158221775
7-tert-butyl-5-iodo-8-methoxyquinoline
CID 66771930
3,8-ditert-butyl-4-ethylquinoline
CID 129258354

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).