5,8-dibromo-N,2,3-trimethylquinolin-4-amine

C12H12Br2N2 — CID 63483840

IUPAC5,8-dibromo-N,2,3-trimethylquinolin-4-amine
SMILESCNc1c(C)c(C)nc2c(Br)ccc(Br)c12
InChIInChI=1S/C12H12Br2N2/c1-6-7(2)16-12-9(14)5-4-8(13)10(12)11(6)15-3/h4-5H,1-3H3,(H,15,16)
InChIKeyGZDXYWZEYSXNLB-UHFFFAOYSA-N
MW344.05 g/mol
LogP4.42
Rot. Bonds1

About 5,8-dibromo-N,2,3-trimethylquinolin-4-amine

5,8-dibromo-N,2,3-trimethylquinolin-4-amine (PubChem CID 63483840) has the molecular formula C12H12Br2N2 and a molecular weight of 344.05 g/mol. Its IUPAC name is 5,8-dibromo-N,2,3-trimethylquinolin-4-amine.

Molecular Properties

Compound Name5,8-dibromo-N,2,3-trimethylquinolin-4-amine
PubChem CID63483840
Molecular FormulaC12H12Br2N2
Molecular Weight344.05 g/mol
Exact Mass341.94
IUPAC Name5,8-dibromo-N,2,3-trimethylquinolin-4-amine
SMILESCNc1c(C)c(C)nc2c(Br)ccc(Br)c12
InChIInChI=1S/C12H12Br2N2/c1-6-7(2)16-12-9(14)5-4-8(13)10(12)11(6)15-3/h4-5H,1-3H3,(H,15,16)
InChIKeyGZDXYWZEYSXNLB-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.05
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,8-dibromo-2-ethyl-N,3-dimethylquinolin-4-amine
CID 63554447
5-bromo-3-ethyl-8-methoxy-N,2-dimethylquinolin-4-amine
CID 63483485
5,8-dibromo-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 63482930
(5-bromo-8-chloro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine
CID 63483898
8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 107629002
6,8-dibromo-3-ethyl-5-methoxy-N,2-dimethylquinolin-4-amine
CID 103416750
N,2,3,5,7-pentamethylquinolin-4-amine
CID 62201677
(5-bromo-3-ethyl-8-fluoro-2-methylquinolin-4-yl)hydrazine
CID 62250940
(6-bromo-5,8-difluoro-2,3-dimethylquinolin-4-yl)hydrazine
CID 107616905
6-chloro-N,2,3,8-tetramethylquinolin-4-amine
CID 62195933
8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline
CID 107628279
2,3,4,5,6,8-hexamethyl-1,7-naphthyridine
CID 163852069

Frequently Asked Questions

What is the IUPAC name of 5,8-dibromo-N,2,3-trimethylquinolin-4-amine?
The IUPAC name of 5,8-dibromo-N,2,3-trimethylquinolin-4-amine (CID 63483840) is 5,8-dibromo-N,2,3-trimethylquinolin-4-amine.
What is the SMILES notation for 5,8-dibromo-N,2,3-trimethylquinolin-4-amine?
The canonical SMILES for 5,8-dibromo-N,2,3-trimethylquinolin-4-amine is CNc1c(C)c(C)nc2c(Br)ccc(Br)c12.
What is the InChIKey of 5,8-dibromo-N,2,3-trimethylquinolin-4-amine?
The InChIKey is GZDXYWZEYSXNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2/c1-6-7(2)16-12-9(14)5-4-8(13)10(12)11(6)15-3/h4-5H,1-3H3,(H,15,16).
What are the key properties of 5,8-dibromo-N,2,3-trimethylquinolin-4-amine?
5,8-dibromo-N,2,3-trimethylquinolin-4-amine has a molecular weight of 344.05 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-N,2,3-trimethylquinolin-4-amine is sourced from PubChem (CID 63483840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).