2-tert-butyl-6,8-dichloroquinolin-4-amine

C13H14Cl2N2 — CID 55194614

IUPAC2-tert-butyl-6,8-dichloroquinolin-4-amine
SMILESCC(C)(C)c1cc(N)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C13H14Cl2N2/c1-13(2,3)11-6-10(16)8-4-7(14)5-9(15)12(8)17-11/h4-6H,1-3H3,(H2,16,17)
InChIKeyKRHZPWCTHBDUIC-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.42
Rot. Bonds

About 2-tert-butyl-6,8-dichloroquinolin-4-amine

2-tert-butyl-6,8-dichloroquinolin-4-amine (PubChem CID 55194614) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 2-tert-butyl-6,8-dichloroquinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6,8-dichloroquinolin-4-amine
PubChem CID55194614
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name2-tert-butyl-6,8-dichloroquinolin-4-amine
SMILESCC(C)(C)c1cc(N)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C13H14Cl2N2/c1-13(2,3)11-6-10(16)8-4-7(14)5-9(15)12(8)17-11/h4-6H,1-3H3,(H2,16,17)
InChIKeyKRHZPWCTHBDUIC-UHFFFAOYSA-N
XLogP4.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6,8-dichloroquinolin-4-amine?
The IUPAC name of 2-tert-butyl-6,8-dichloroquinolin-4-amine (CID 55194614) is 2-tert-butyl-6,8-dichloroquinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-6,8-dichloroquinolin-4-amine?
The canonical SMILES for 2-tert-butyl-6,8-dichloroquinolin-4-amine is CC(C)(C)c1cc(N)c2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of 2-tert-butyl-6,8-dichloroquinolin-4-amine?
The InChIKey is KRHZPWCTHBDUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-13(2,3)11-6-10(16)8-4-7(14)5-9(15)12(8)17-11/h4-6H,1-3H3,(H2,16,17).
What are the key properties of 2-tert-butyl-6,8-dichloroquinolin-4-amine?
2-tert-butyl-6,8-dichloroquinolin-4-amine has a molecular weight of 269.18 g/mol, XLogP of 4.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6,8-dichloroquinolin-4-amine is sourced from PubChem (CID 55194614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).