6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine

C13H15BrN2 — CID 81289001

IUPAC6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine
SMILESCCc1cc(Br)cc2c(N)c(C)c(C)nc12
InChIInChI=1S/C13H15BrN2/c1-4-9-5-10(14)6-11-12(15)7(2)8(3)16-13(9)11/h5-6H,4H2,1-3H3,(H2,15,16)
InChIKeyKOYSWADCNHRYCG-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.76
Rot. Bonds1

About 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine

6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine (PubChem CID 81289001) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine
PubChem CID81289001
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine
SMILESCCc1cc(Br)cc2c(N)c(C)c(C)nc12
InChIInChI=1S/C13H15BrN2/c1-4-9-5-10(14)6-11-12(15)7(2)8(3)16-13(9)11/h5-6H,4H2,1-3H3,(H2,15,16)
InChIKeyKOYSWADCNHRYCG-UHFFFAOYSA-N
XLogP3.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-5-ethyl-1,2,3,4-tetrahydroacridin-9-amine
CID 81289505
2-bromo-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 81287794
6-bromo-8-chloro-2-ethyl-3-methylquinolin-4-amine
CID 63560921
4-bromo-2-ethyl-6-methylaniline
CID 960761
6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 81289179
6-bromo-4-ethyl-1,3-benzothiazol-2-amine
CID 3413695
6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid
CID 102942112
6-bromo-8-ethyl-3-methyl-2-phenylquinoline-4-carboxylic acid
CID 4712153
[6-bromo-2-(difluoromethyl)-8-ethylquinolin-4-yl]hydrazine
CID 81288815
2-amino-5-bromo-3-ethylbenzenethiol
CID 81291404
6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine
CID 81287597
6-bromo-8-ethyl-N-methyl-2-propylquinolin-4-amine
CID 81288812

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine?
The IUPAC name of 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine (CID 81289001) is 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine.
What is the SMILES notation for 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine?
The canonical SMILES for 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine is CCc1cc(Br)cc2c(N)c(C)c(C)nc12.
What is the InChIKey of 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine?
The InChIKey is KOYSWADCNHRYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-4-9-5-10(14)6-11-12(15)7(2)8(3)16-13(9)11/h5-6H,4H2,1-3H3,(H2,15,16).
What are the key properties of 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine?
6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine has a molecular weight of 279.18 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine is sourced from PubChem (CID 81289001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).