3-tert-butyl-6-methoxy-8-methylquinolin-2-amine

C15H20N2O — CID 63385968

IUPAC3-tert-butyl-6-methoxy-8-methylquinolin-2-amine
SMILESCOc1cc(C)c2nc(N)c(C(C)(C)C)cc2c1
InChIInChI=1S/C15H20N2O/c1-9-6-11(18-5)7-10-8-12(15(2,3)4)14(16)17-13(9)10/h6-8H,1-5H3,(H2,16,17)
InChIKeyLIQBSAHOWAGCHU-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.43
Rot. Bonds1

About 3-tert-butyl-6-methoxy-8-methylquinolin-2-amine

3-tert-butyl-6-methoxy-8-methylquinolin-2-amine (PubChem CID 63385968) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-tert-butyl-6-methoxy-8-methylquinolin-2-amine.

Molecular Properties

Compound Name3-tert-butyl-6-methoxy-8-methylquinolin-2-amine
PubChem CID63385968
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-tert-butyl-6-methoxy-8-methylquinolin-2-amine
SMILESCOc1cc(C)c2nc(N)c(C(C)(C)C)cc2c1
InChIInChI=1S/C15H20N2O/c1-9-6-11(18-5)7-10-8-12(15(2,3)4)14(16)17-13(9)10/h6-8H,1-5H3,(H2,16,17)
InChIKeyLIQBSAHOWAGCHU-UHFFFAOYSA-N
XLogP3.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methoxy-8-methylquinolin-2-amine?
The IUPAC name of 3-tert-butyl-6-methoxy-8-methylquinolin-2-amine (CID 63385968) is 3-tert-butyl-6-methoxy-8-methylquinolin-2-amine.
What is the SMILES notation for 3-tert-butyl-6-methoxy-8-methylquinolin-2-amine?
The canonical SMILES for 3-tert-butyl-6-methoxy-8-methylquinolin-2-amine is COc1cc(C)c2nc(N)c(C(C)(C)C)cc2c1.
What is the InChIKey of 3-tert-butyl-6-methoxy-8-methylquinolin-2-amine?
The InChIKey is LIQBSAHOWAGCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-9-6-11(18-5)7-10-8-12(15(2,3)4)14(16)17-13(9)10/h6-8H,1-5H3,(H2,16,17).
What are the key properties of 3-tert-butyl-6-methoxy-8-methylquinolin-2-amine?
3-tert-butyl-6-methoxy-8-methylquinolin-2-amine has a molecular weight of 244.34 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methoxy-8-methylquinolin-2-amine is sourced from PubChem (CID 63385968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).