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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Related Compounds

4-(dimethylamino)quinoline-3-carbothioamide
CID 43669612
3-bromo-4-fluoroquinoline
CID 130056268
3-bromoquinoline-4-carboxylic acid
CID 119083564
N,N-dimethylquinazolin-4-amine;hydrochloride
CID 174283261
4-bromo-3-propan-2-ylquinoline
CID 155647294
3-bromo-4-hexylquinoline
CID 134275854
4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61339360
4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine
CID 113359417
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798
N-methyl-3-(methylideneamino)-N-propylquinolin-4-amine
CID 166969759
3-(aminomethyl)-N,N-diethylquinolin-4-amine
CID 43669325
4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile
CID 63693524

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).