6-bromo-N,N-diethyl-2-methylquinolin-4-amine

C14H17BrN2 — CID 110434316

IUPAC6-bromo-N,N-diethyl-2-methylquinolin-4-amine
SMILESCCN(CC)c1cc(C)nc2ccc(Br)cc12
InChIInChI=1S/C14H17BrN2/c1-4-17(5-2)14-8-10(3)16-13-7-6-11(15)9-12(13)14/h6-9H,4-5H2,1-3H3
InChIKeyXKOMSXZOPUWZRK-UHFFFAOYSA-N
MW293.21 g/mol
LogP4.15
Rot. Bonds3

About 6-bromo-N,N-diethyl-2-methylquinolin-4-amine

6-bromo-N,N-diethyl-2-methylquinolin-4-amine (PubChem CID 110434316) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 6-bromo-N,N-diethyl-2-methylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-N,N-diethyl-2-methylquinolin-4-amine
PubChem CID110434316
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name6-bromo-N,N-diethyl-2-methylquinolin-4-amine
SMILESCCN(CC)c1cc(C)nc2ccc(Br)cc12
InChIInChI=1S/C14H17BrN2/c1-4-17(5-2)14-8-10(3)16-13-7-6-11(15)9-12(13)14/h6-9H,4-5H2,1-3H3
InChIKeyXKOMSXZOPUWZRK-UHFFFAOYSA-N
XLogP4.15
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-diethyl-2-methylquinolin-4-amine?
The IUPAC name of 6-bromo-N,N-diethyl-2-methylquinolin-4-amine (CID 110434316) is 6-bromo-N,N-diethyl-2-methylquinolin-4-amine.
What is the SMILES notation for 6-bromo-N,N-diethyl-2-methylquinolin-4-amine?
The canonical SMILES for 6-bromo-N,N-diethyl-2-methylquinolin-4-amine is CCN(CC)c1cc(C)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N,N-diethyl-2-methylquinolin-4-amine?
The InChIKey is XKOMSXZOPUWZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-4-17(5-2)14-8-10(3)16-13-7-6-11(15)9-12(13)14/h6-9H,4-5H2,1-3H3.
What are the key properties of 6-bromo-N,N-diethyl-2-methylquinolin-4-amine?
6-bromo-N,N-diethyl-2-methylquinolin-4-amine has a molecular weight of 293.21 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-diethyl-2-methylquinolin-4-amine is sourced from PubChem (CID 110434316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).