8-tert-butylquinoline

C13H15N — CID 3018591

IUPAC8-tert-butylquinoline
SMILESCC(C)(C)c1cccc2cccnc12
InChIInChI=1S/C13H15N/c1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11/h4-9H,1-3H3
InChIKeyOQKVXNPHJMUXOZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.53
Rot. Bonds

About 8-tert-butylquinoline

8-tert-butylquinoline (PubChem CID 3018591) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 8-tert-butylquinoline.

Molecular Properties

Compound Name8-tert-butylquinoline
PubChem CID3018591
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name8-tert-butylquinoline
SMILESCC(C)(C)c1cccc2cccnc12
InChIInChI=1S/C13H15N/c1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11/h4-9H,1-3H3
InChIKeyOQKVXNPHJMUXOZ-UHFFFAOYSA-N
XLogP3.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butylquinoline?
The IUPAC name of 8-tert-butylquinoline (CID 3018591) is 8-tert-butylquinoline.
What is the SMILES notation for 8-tert-butylquinoline?
The canonical SMILES for 8-tert-butylquinoline is CC(C)(C)c1cccc2cccnc12.
What is the InChIKey of 8-tert-butylquinoline?
The InChIKey is OQKVXNPHJMUXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11/h4-9H,1-3H3.
What are the key properties of 8-tert-butylquinoline?
8-tert-butylquinoline has a molecular weight of 185.27 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butylquinoline is sourced from PubChem (CID 3018591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).