3-bromo-N,N-dimethylquinolin-4-amine

C11H11BrN2 — CID 119086885

IUPAC3-bromo-N,N-dimethylquinolin-4-amine
SMILESCN(C)c1c(Br)cnc2ccccc12
InChIInChI=1S/C11H11BrN2/c1-14(2)11-8-5-3-4-6-10(8)13-7-9(11)12/h3-7H,1-2H3
InChIKeyKVBWRDLCGUGOGY-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.06
Rot. Bonds1

About 3-bromo-N,N-dimethylquinolin-4-amine

3-bromo-N,N-dimethylquinolin-4-amine (PubChem CID 119086885) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 3-bromo-N,N-dimethylquinolin-4-amine.

Molecular Properties

Compound Name3-bromo-N,N-dimethylquinolin-4-amine
PubChem CID119086885
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name3-bromo-N,N-dimethylquinolin-4-amine
SMILESCN(C)c1c(Br)cnc2ccccc12
InChIInChI=1S/C11H11BrN2/c1-14(2)11-8-5-3-4-6-10(8)13-7-9(11)12/h3-7H,1-2H3
InChIKeyKVBWRDLCGUGOGY-UHFFFAOYSA-N
XLogP3.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N-dimethylquinolin-4-amine?
The IUPAC name of 3-bromo-N,N-dimethylquinolin-4-amine (CID 119086885) is 3-bromo-N,N-dimethylquinolin-4-amine.
What is the SMILES notation for 3-bromo-N,N-dimethylquinolin-4-amine?
The canonical SMILES for 3-bromo-N,N-dimethylquinolin-4-amine is CN(C)c1c(Br)cnc2ccccc12.
What is the InChIKey of 3-bromo-N,N-dimethylquinolin-4-amine?
The InChIKey is KVBWRDLCGUGOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-14(2)11-8-5-3-4-6-10(8)13-7-9(11)12/h3-7H,1-2H3.
What are the key properties of 3-bromo-N,N-dimethylquinolin-4-amine?
3-bromo-N,N-dimethylquinolin-4-amine has a molecular weight of 251.13 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-dimethylquinolin-4-amine is sourced from PubChem (CID 119086885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).