2-tert-butyl-6-cyclopropyloxynaphthalene;6-tert-butyl-2-cyclopropyloxyquinoline

C33H39NO2 — CID 159751617

IUPAC2-tert-butyl-6-cyclopropyloxynaphthalene;6-tert-butyl-2-cyclopropyloxyquinoline
SMILESCC(C)(C)c1ccc2cc(OC3CC3)ccc2c1.CC(C)(C)c1ccc2nc(OC3CC3)ccc2c1
InChIInChI=1S/C17H20O.C16H19NO/c1-17(2,3)14-6-4-13-11-16(18-15-8-9-15)7-5-12(13)10-14;1-16(2,3)12-5-8-14-11(10-12)4-9-15(17-14)18-13-6-7-13/h4-7,10-11,15H,8-9H2,1-3H3;4-5,8-10,13H,6-7H2,1-3H3
InChIKeyNDSJWXZUWWDQRT-UHFFFAOYSA-N
MW481.68 g/mol
LogP8.75
Rot. Bonds4

About 2-tert-butyl-6-cyclopropyloxynaphthalene;6-tert-butyl-2-cyclopropyloxyquinoline

2-tert-butyl-6-cyclopropyloxynaphthalene;6-tert-butyl-2-cyclopropyloxyquinoline (PubChem CID 159751617) has the molecular formula C33H39NO2 and a molecular weight of 481.68 g/mol. Its IUPAC name is 2-tert-butyl-6-cyclopropyloxynaphthalene;6-tert-butyl-2-cyclopropyloxyquinoline.

Molecular Properties

Compound Name2-tert-butyl-6-cyclopropyloxynaphthalene;6-tert-butyl-2-cyclopropyloxyquinoline
PubChem CID159751617
Molecular FormulaC33H39NO2
Molecular Weight481.68 g/mol
Exact Mass481.30
IUPAC Name2-tert-butyl-6-cyclopropyloxynaphthalene;6-tert-butyl-2-cyclopropyloxyquinoline
SMILESCC(C)(C)c1ccc2cc(OC3CC3)ccc2c1.CC(C)(C)c1ccc2nc(OC3CC3)ccc2c1
InChIInChI=1S/C17H20O.C16H19NO/c1-17(2,3)14-6-4-13-11-16(18-15-8-9-15)7-5-12(13)10-14;1-16(2,3)12-5-8-14-11(10-12)4-9-15(17-14)18-13-6-7-13/h4-7,10-11,15H,8-9H2,1-3H3;4-5,8-10,13H,6-7H2,1-3H3
InChIKeyNDSJWXZUWWDQRT-UHFFFAOYSA-N
XLogP8.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-4-yloxy-6-(trifluoromethyl)quinoline
CID 175780959
2-(4-tert-butylcyclohexyl)oxy-6-(2,3-dimethylbutan-2-yl)naphthalene
CID 123570731
2-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]propan-2-amine
CID 70497244
2-methyl-6-piperidin-4-yloxyquinoline
CID 123255075
(2R)-2-amino-2-[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196262
(2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196242
1-cyclopropyloxy-4-[2-(4-cyclopropyloxyphenyl)propan-2-yl]benzene
CID 175031556
(2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196153
(R)-N-[1-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]ethylidene]-2-methylpropane-2-sulfinamide
CID 86668426
2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol
CID 68605408
(2R)-2-amino-2-[6-(4-butan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196243
[6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinolin-2-yl] N-tert-butylcarbamate
CID 67318762

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-cyclopropyloxynaphthalene;6-tert-butyl-2-cyclopropyloxyquinoline?
The IUPAC name of 2-tert-butyl-6-cyclopropyloxynaphthalene;6-tert-butyl-2-cyclopropyloxyquinoline (CID 159751617) is 2-tert-butyl-6-cyclopropyloxynaphthalene;6-tert-butyl-2-cyclopropyloxyquinoline.
What is the SMILES notation for 2-tert-butyl-6-cyclopropyloxynaphthalene;6-tert-butyl-2-cyclopropyloxyquinoline?
The canonical SMILES for 2-tert-butyl-6-cyclopropyloxynaphthalene;6-tert-butyl-2-cyclopropyloxyquinoline is CC(C)(C)c1ccc2cc(OC3CC3)ccc2c1.CC(C)(C)c1ccc2nc(OC3CC3)ccc2c1.
What is the InChIKey of 2-tert-butyl-6-cyclopropyloxynaphthalene;6-tert-butyl-2-cyclopropyloxyquinoline?
The InChIKey is NDSJWXZUWWDQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O.C16H19NO/c1-17(2,3)14-6-4-13-11-16(18-15-8-9-15)7-5-12(13)10-14;1-16(2,3)12-5-8-14-11(10-12)4-9-15(17-14)18-13-6-7-13/h4-7,10-11,15H,8-9H2,1-3H3;4-5,8-10,13H,6-7H2,1-3H3.
What are the key properties of 2-tert-butyl-6-cyclopropyloxynaphthalene;6-tert-butyl-2-cyclopropyloxyquinoline?
2-tert-butyl-6-cyclopropyloxynaphthalene;6-tert-butyl-2-cyclopropyloxyquinoline has a molecular weight of 481.68 g/mol, XLogP of 8.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-cyclopropyloxynaphthalene;6-tert-butyl-2-cyclopropyloxyquinoline is sourced from PubChem (CID 159751617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).