2-tert-butyl-5,6-dimethoxyquinolin-8-amine

C15H20N2O2 — CID 22262997

IUPAC2-tert-butyl-5,6-dimethoxyquinolin-8-amine
SMILESCOc1cc(N)c2nc(C(C)(C)C)ccc2c1OC
InChIInChI=1S/C15H20N2O2/c1-15(2,3)12-7-6-9-13(17-12)10(16)8-11(18-4)14(9)19-5/h6-8H,16H2,1-5H3
InChIKeyVHBPNOIWWQPTTF-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.13
Rot. Bonds2

About 2-tert-butyl-5,6-dimethoxyquinolin-8-amine

2-tert-butyl-5,6-dimethoxyquinolin-8-amine (PubChem CID 22262997) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-tert-butyl-5,6-dimethoxyquinolin-8-amine.

Molecular Properties

Compound Name2-tert-butyl-5,6-dimethoxyquinolin-8-amine
PubChem CID22262997
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-tert-butyl-5,6-dimethoxyquinolin-8-amine
SMILESCOc1cc(N)c2nc(C(C)(C)C)ccc2c1OC
InChIInChI=1S/C15H20N2O2/c1-15(2,3)12-7-6-9-13(17-12)10(16)8-11(18-4)14(9)19-5/h6-8H,16H2,1-5H3
InChIKeyVHBPNOIWWQPTTF-UHFFFAOYSA-N
XLogP3.13
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,6-dimethoxyquinolin-8-amine?
The IUPAC name of 2-tert-butyl-5,6-dimethoxyquinolin-8-amine (CID 22262997) is 2-tert-butyl-5,6-dimethoxyquinolin-8-amine.
What is the SMILES notation for 2-tert-butyl-5,6-dimethoxyquinolin-8-amine?
The canonical SMILES for 2-tert-butyl-5,6-dimethoxyquinolin-8-amine is COc1cc(N)c2nc(C(C)(C)C)ccc2c1OC.
What is the InChIKey of 2-tert-butyl-5,6-dimethoxyquinolin-8-amine?
The InChIKey is VHBPNOIWWQPTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,3)12-7-6-9-13(17-12)10(16)8-11(18-4)14(9)19-5/h6-8H,16H2,1-5H3.
What are the key properties of 2-tert-butyl-5,6-dimethoxyquinolin-8-amine?
2-tert-butyl-5,6-dimethoxyquinolin-8-amine has a molecular weight of 260.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,6-dimethoxyquinolin-8-amine is sourced from PubChem (CID 22262997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).