3-tert-butyl-7-(3-methylbutan-2-yl)quinoline

C18H25N — CID 170039002

IUPAC3-tert-butyl-7-(3-methylbutan-2-yl)quinoline
SMILESCC(C)C(C)c1ccc2cc(C(C)(C)C)cnc2c1
InChIInChI=1S/C18H25N/c1-12(2)13(3)14-7-8-15-9-16(18(4,5)6)11-19-17(15)10-14/h7-13H,1-6H3
InChIKeyINHUOWNCZORYCA-UHFFFAOYSA-N
MW255.40 g/mol
LogP5.29
Rot. Bonds2

About 3-tert-butyl-7-(3-methylbutan-2-yl)quinoline

3-tert-butyl-7-(3-methylbutan-2-yl)quinoline (PubChem CID 170039002) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-tert-butyl-7-(3-methylbutan-2-yl)quinoline.

Molecular Properties

Compound Name3-tert-butyl-7-(3-methylbutan-2-yl)quinoline
PubChem CID170039002
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name3-tert-butyl-7-(3-methylbutan-2-yl)quinoline
SMILESCC(C)C(C)c1ccc2cc(C(C)(C)C)cnc2c1
InChIInChI=1S/C18H25N/c1-12(2)13(3)14-7-8-15-9-16(18(4,5)6)11-19-17(15)10-14/h7-13H,1-6H3
InChIKeyINHUOWNCZORYCA-UHFFFAOYSA-N
XLogP5.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.40
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-7-(3-methylbutan-2-yl)quinoline?
The IUPAC name of 3-tert-butyl-7-(3-methylbutan-2-yl)quinoline (CID 170039002) is 3-tert-butyl-7-(3-methylbutan-2-yl)quinoline.
What is the SMILES notation for 3-tert-butyl-7-(3-methylbutan-2-yl)quinoline?
The canonical SMILES for 3-tert-butyl-7-(3-methylbutan-2-yl)quinoline is CC(C)C(C)c1ccc2cc(C(C)(C)C)cnc2c1.
What is the InChIKey of 3-tert-butyl-7-(3-methylbutan-2-yl)quinoline?
The InChIKey is INHUOWNCZORYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-12(2)13(3)14-7-8-15-9-16(18(4,5)6)11-19-17(15)10-14/h7-13H,1-6H3.
What are the key properties of 3-tert-butyl-7-(3-methylbutan-2-yl)quinoline?
3-tert-butyl-7-(3-methylbutan-2-yl)quinoline has a molecular weight of 255.40 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-7-(3-methylbutan-2-yl)quinoline is sourced from PubChem (CID 170039002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).