3,8-ditert-butyl-4-methoxyquinoline

C18H25NO — CID 129258195

IUPAC3,8-ditert-butyl-4-methoxyquinoline
SMILESCOc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12
InChIInChI=1S/C18H25NO/c1-17(2,3)13-10-8-9-12-15(13)19-11-14(16(12)20-7)18(4,5)6/h8-11H,1-7H3
InChIKeyMQDNCTVSTSLHKL-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.84
Rot. Bonds1

About 3,8-ditert-butyl-4-methoxyquinoline

3,8-ditert-butyl-4-methoxyquinoline (PubChem CID 129258195) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 3,8-ditert-butyl-4-methoxyquinoline.

Molecular Properties

Compound Name3,8-ditert-butyl-4-methoxyquinoline
PubChem CID129258195
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name3,8-ditert-butyl-4-methoxyquinoline
SMILESCOc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12
InChIInChI=1S/C18H25NO/c1-17(2,3)13-10-8-9-12-15(13)19-11-14(16(12)20-7)18(4,5)6/h8-11H,1-7H3
InChIKeyMQDNCTVSTSLHKL-UHFFFAOYSA-N
XLogP4.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8-ditert-butyl-4-methoxyquinoline?
The IUPAC name of 3,8-ditert-butyl-4-methoxyquinoline (CID 129258195) is 3,8-ditert-butyl-4-methoxyquinoline.
What is the SMILES notation for 3,8-ditert-butyl-4-methoxyquinoline?
The canonical SMILES for 3,8-ditert-butyl-4-methoxyquinoline is COc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12.
What is the InChIKey of 3,8-ditert-butyl-4-methoxyquinoline?
The InChIKey is MQDNCTVSTSLHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-17(2,3)13-10-8-9-12-15(13)19-11-14(16(12)20-7)18(4,5)6/h8-11H,1-7H3.
What are the key properties of 3,8-ditert-butyl-4-methoxyquinoline?
3,8-ditert-butyl-4-methoxyquinoline has a molecular weight of 271.40 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-ditert-butyl-4-methoxyquinoline is sourced from PubChem (CID 129258195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).