5,6-ditert-butyl-1,4-dihydroquinoline

C17H25N — CID 155403668

IUPAC5,6-ditert-butyl-1,4-dihydroquinoline
SMILESCC(C)(C)c1ccc2c(c1C(C)(C)C)CC=CN2
InChIInChI=1S/C17H25N/c1-16(2,3)13-9-10-14-12(8-7-11-18-14)15(13)17(4,5)6/h7,9-11,18H,8H2,1-6H3
InChIKeyLQWUWHDOSVBQEI-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.76
Rot. Bonds

About 5,6-ditert-butyl-1,4-dihydroquinoline

5,6-ditert-butyl-1,4-dihydroquinoline (PubChem CID 155403668) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 5,6-ditert-butyl-1,4-dihydroquinoline.

Molecular Properties

Compound Name5,6-ditert-butyl-1,4-dihydroquinoline
PubChem CID155403668
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name5,6-ditert-butyl-1,4-dihydroquinoline
SMILESCC(C)(C)c1ccc2c(c1C(C)(C)C)CC=CN2
InChIInChI=1S/C17H25N/c1-16(2,3)13-9-10-14-12(8-7-11-18-14)15(13)17(4,5)6/h7,9-11,18H,8H2,1-6H3
InChIKeyLQWUWHDOSVBQEI-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-1,4-dihydroquinoline?
The IUPAC name of 5,6-ditert-butyl-1,4-dihydroquinoline (CID 155403668) is 5,6-ditert-butyl-1,4-dihydroquinoline.
What is the SMILES notation for 5,6-ditert-butyl-1,4-dihydroquinoline?
The canonical SMILES for 5,6-ditert-butyl-1,4-dihydroquinoline is CC(C)(C)c1ccc2c(c1C(C)(C)C)CC=CN2.
What is the InChIKey of 5,6-ditert-butyl-1,4-dihydroquinoline?
The InChIKey is LQWUWHDOSVBQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-16(2,3)13-9-10-14-12(8-7-11-18-14)15(13)17(4,5)6/h7,9-11,18H,8H2,1-6H3.
What are the key properties of 5,6-ditert-butyl-1,4-dihydroquinoline?
5,6-ditert-butyl-1,4-dihydroquinoline has a molecular weight of 243.39 g/mol, XLogP of 4.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-1,4-dihydroquinoline is sourced from PubChem (CID 155403668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).