3,8-ditert-butyl-4-ethylquinoline

C19H27N — CID 129258354

IUPAC3,8-ditert-butyl-4-ethylquinoline
SMILESCCc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12
InChIInChI=1S/C19H27N/c1-8-13-14-10-9-11-15(18(2,3)4)17(14)20-12-16(13)19(5,6)7/h9-12H,8H2,1-7H3
InChIKeyGONGITRVOFBIPL-UHFFFAOYSA-N
MW269.43 g/mol
LogP5.39
Rot. Bonds1

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

3,8-ditert-butyl-4-ethylquinoline (PubChem CID 129258354) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 3,8-ditert-butyl-4-ethylquinoline.

Molecular Properties

Compound Name3,8-ditert-butyl-4-ethylquinoline
PubChem CID129258354
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name3,8-ditert-butyl-4-ethylquinoline
SMILESCCc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12
InChIInChI=1S/C19H27N/c1-8-13-14-10-9-11-15(18(2,3)4)17(14)20-12-16(13)19(5,6)7/h9-12H,8H2,1-7H3
InChIKeyGONGITRVOFBIPL-UHFFFAOYSA-N
XLogP5.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,8-ditert-butyl-4-ethylquinoline?
The IUPAC name of 3,8-ditert-butyl-4-ethylquinoline (CID 129258354) is 3,8-ditert-butyl-4-ethylquinoline.
What is the SMILES notation for 3,8-ditert-butyl-4-ethylquinoline?
The canonical SMILES for 3,8-ditert-butyl-4-ethylquinoline is CCc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12.
What is the InChIKey of 3,8-ditert-butyl-4-ethylquinoline?
The InChIKey is GONGITRVOFBIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-8-13-14-10-9-11-15(18(2,3)4)17(14)20-12-16(13)19(5,6)7/h9-12H,8H2,1-7H3.
What are the key properties of 3,8-ditert-butyl-4-ethylquinoline?
3,8-ditert-butyl-4-ethylquinoline has a molecular weight of 269.43 g/mol, XLogP of 5.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-ditert-butyl-4-ethylquinoline is sourced from PubChem (CID 129258354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).