8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline

C18H22N2O — CID 107875268

IUPAC8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1ccc(Oc2cccc3c2NCCC3)nc1
InChIInChI=1S/C18H22N2O/c1-18(2,3)14-9-10-16(20-12-14)21-15-8-4-6-13-7-5-11-19-17(13)15/h4,6,8-10,12,19H,5,7,11H2,1-3H3
InChIKeyQCGGUHDSYMMHQP-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.53
Rot. Bonds2

About 8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline

8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 107875268) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
PubChem CID107875268
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1ccc(Oc2cccc3c2NCCC3)nc1
InChIInChI=1S/C18H22N2O/c1-18(2,3)14-9-10-16(20-12-14)21-15-8-4-6-13-7-5-11-19-17(13)15/h4,6,8-10,12,19H,5,7,11H2,1-3H3
InChIKeyQCGGUHDSYMMHQP-UHFFFAOYSA-N
XLogP4.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

8-[(5-fluoro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 61313548
8-[(5-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 54907879
8-pyridin-2-yloxy-1,2,3,4-tetrahydroquinoline
CID 61025631
8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 62770238
8-[(6-ethoxy-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 63589905
8-[(3,5-difluoro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 112676286
8-pyridin-4-yloxy-1,2,3,4-tetrahydroquinoline
CID 54908431
8-(6-propoxypyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 66332592
8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075715
8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 103582950
8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 114599393
5-tert-butyl-2-(2-tert-butylphenoxy)pyridine
CID 59734455

Frequently Asked Questions

What is the IUPAC name of 8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline (CID 107875268) is 8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline is CC(C)(C)c1ccc(Oc2cccc3c2NCCC3)nc1.
What is the InChIKey of 8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is QCGGUHDSYMMHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2,3)14-9-10-16(20-12-14)21-15-8-4-6-13-7-5-11-19-17(13)15/h4,6,8-10,12,19H,5,7,11H2,1-3H3.
What are the key properties of 8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline?
8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 282.39 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 107875268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).