6,8-ditert-butyl-2-methylquinoline

C18H25N — CID 167019178

IUPAC6,8-ditert-butyl-2-methylquinoline
SMILESCc1ccc2cc(C(C)(C)C)cc(C(C)(C)C)c2n1
InChIInChI=1S/C18H25N/c1-12-8-9-13-10-14(17(2,3)4)11-15(16(13)19-12)18(5,6)7/h8-11H,1-7H3
InChIKeyCLVFCNYJMHFVEV-UHFFFAOYSA-N
MW255.40 g/mol
LogP5.14
Rot. Bonds

About 6,8-ditert-butyl-2-methylquinoline

6,8-ditert-butyl-2-methylquinoline (PubChem CID 167019178) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is 6,8-ditert-butyl-2-methylquinoline.

Molecular Properties

Compound Name6,8-ditert-butyl-2-methylquinoline
PubChem CID167019178
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name6,8-ditert-butyl-2-methylquinoline
SMILESCc1ccc2cc(C(C)(C)C)cc(C(C)(C)C)c2n1
InChIInChI=1S/C18H25N/c1-12-8-9-13-10-14(17(2,3)4)11-15(16(13)19-12)18(5,6)7/h8-11H,1-7H3
InChIKeyCLVFCNYJMHFVEV-UHFFFAOYSA-N
XLogP5.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.40
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-ditert-butyl-2-methylquinoline?
The IUPAC name of 6,8-ditert-butyl-2-methylquinoline (CID 167019178) is 6,8-ditert-butyl-2-methylquinoline.
What is the SMILES notation for 6,8-ditert-butyl-2-methylquinoline?
The canonical SMILES for 6,8-ditert-butyl-2-methylquinoline is Cc1ccc2cc(C(C)(C)C)cc(C(C)(C)C)c2n1.
What is the InChIKey of 6,8-ditert-butyl-2-methylquinoline?
The InChIKey is CLVFCNYJMHFVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-12-8-9-13-10-14(17(2,3)4)11-15(16(13)19-12)18(5,6)7/h8-11H,1-7H3.
What are the key properties of 6,8-ditert-butyl-2-methylquinoline?
6,8-ditert-butyl-2-methylquinoline has a molecular weight of 255.40 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-ditert-butyl-2-methylquinoline is sourced from PubChem (CID 167019178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).