8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine

C14H17BrN2 — CID 62914764

IUPAC8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine
SMILESCc1cc(Br)c2nc(C)c(C(C)C)c(N)c2c1
InChIInChI=1S/C14H17BrN2/c1-7(2)12-9(4)17-14-10(13(12)16)5-8(3)6-11(14)15/h5-7H,1-4H3,(H2,16,17)
InChIKeyOPXNZKKEXXGKGG-UHFFFAOYSA-N
MW293.21 g/mol
LogP4.32
Rot. Bonds1

About 8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine

8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine (PubChem CID 62914764) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine.

Molecular Properties

Compound Name8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine
PubChem CID62914764
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine
SMILESCc1cc(Br)c2nc(C)c(C(C)C)c(N)c2c1
InChIInChI=1S/C14H17BrN2/c1-7(2)12-9(4)17-14-10(13(12)16)5-8(3)6-11(14)15/h5-7H,1-4H3,(H2,16,17)
InChIKeyOPXNZKKEXXGKGG-UHFFFAOYSA-N
XLogP4.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine?
The IUPAC name of 8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine (CID 62914764) is 8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine.
What is the SMILES notation for 8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine?
The canonical SMILES for 8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine is Cc1cc(Br)c2nc(C)c(C(C)C)c(N)c2c1.
What is the InChIKey of 8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine?
The InChIKey is OPXNZKKEXXGKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-7(2)12-9(4)17-14-10(13(12)16)5-8(3)6-11(14)15/h5-7H,1-4H3,(H2,16,17).
What are the key properties of 8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine?
8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine has a molecular weight of 293.21 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine is sourced from PubChem (CID 62914764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).