8-bromo-2-cyclopropyl-N,6-dimethylquinolin-4-amine

C14H15BrN2 — CID 63357923

IUPAC8-bromo-2-cyclopropyl-N,6-dimethylquinolin-4-amine
SMILESCNc1cc(C2CC2)nc2c(Br)cc(C)cc12
InChIInChI=1S/C14H15BrN2/c1-8-5-10-13(16-2)7-12(9-3-4-9)17-14(10)11(15)6-8/h5-7,9H,3-4H2,1-2H3,(H,16,17)
InChIKeyVVHRHTNJUJEXRZ-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.22
Rot. Bonds2

About 8-bromo-2-cyclopropyl-N,6-dimethylquinolin-4-amine

8-bromo-2-cyclopropyl-N,6-dimethylquinolin-4-amine (PubChem CID 63357923) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 8-bromo-2-cyclopropyl-N,6-dimethylquinolin-4-amine.

Molecular Properties

Compound Name8-bromo-2-cyclopropyl-N,6-dimethylquinolin-4-amine
PubChem CID63357923
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name8-bromo-2-cyclopropyl-N,6-dimethylquinolin-4-amine
SMILESCNc1cc(C2CC2)nc2c(Br)cc(C)cc12
InChIInChI=1S/C14H15BrN2/c1-8-5-10-13(16-2)7-12(9-3-4-9)17-14(10)11(15)6-8/h5-7,9H,3-4H2,1-2H3,(H,16,17)
InChIKeyVVHRHTNJUJEXRZ-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-cyclopropyl-N,6-dimethylquinolin-4-amine?
The IUPAC name of 8-bromo-2-cyclopropyl-N,6-dimethylquinolin-4-amine (CID 63357923) is 8-bromo-2-cyclopropyl-N,6-dimethylquinolin-4-amine.
What is the SMILES notation for 8-bromo-2-cyclopropyl-N,6-dimethylquinolin-4-amine?
The canonical SMILES for 8-bromo-2-cyclopropyl-N,6-dimethylquinolin-4-amine is CNc1cc(C2CC2)nc2c(Br)cc(C)cc12.
What is the InChIKey of 8-bromo-2-cyclopropyl-N,6-dimethylquinolin-4-amine?
The InChIKey is VVHRHTNJUJEXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-8-5-10-13(16-2)7-12(9-3-4-9)17-14(10)11(15)6-8/h5-7,9H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 8-bromo-2-cyclopropyl-N,6-dimethylquinolin-4-amine?
8-bromo-2-cyclopropyl-N,6-dimethylquinolin-4-amine has a molecular weight of 291.19 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-cyclopropyl-N,6-dimethylquinolin-4-amine is sourced from PubChem (CID 63357923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).