6-bromo-4-(2-ethylimidazol-1-yl)-2-methylquinoline

C15H14BrN3 — CID 110436010

IUPAC6-bromo-4-(2-ethylimidazol-1-yl)-2-methylquinoline
SMILESCCc1nccn1-c1cc(C)nc2ccc(Br)cc12
InChIInChI=1S/C15H14BrN3/c1-3-15-17-6-7-19(15)14-8-10(2)18-13-5-4-11(16)9-12(13)14/h4-9H,3H2,1-2H3
InChIKeyWWZWXMJHKLTOLY-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.05
Rot. Bonds2

About 6-bromo-4-(2-ethylimidazol-1-yl)-2-methylquinoline

6-bromo-4-(2-ethylimidazol-1-yl)-2-methylquinoline (PubChem CID 110436010) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 6-bromo-4-(2-ethylimidazol-1-yl)-2-methylquinoline.

Molecular Properties

Compound Name6-bromo-4-(2-ethylimidazol-1-yl)-2-methylquinoline
PubChem CID110436010
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name6-bromo-4-(2-ethylimidazol-1-yl)-2-methylquinoline
SMILESCCc1nccn1-c1cc(C)nc2ccc(Br)cc12
InChIInChI=1S/C15H14BrN3/c1-3-15-17-6-7-19(15)14-8-10(2)18-13-5-4-11(16)9-12(13)14/h4-9H,3H2,1-2H3
InChIKeyWWZWXMJHKLTOLY-UHFFFAOYSA-N
XLogP4.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-methyl-4-(2-methylimidazol-1-yl)quinoline
CID 110436009
4-(2-ethylimidazol-1-yl)-8-methoxy-2-methylquinoline
CID 110435976
2-[5-bromo-2-(2-ethylimidazol-1-yl)phenyl]ethanamine
CID 114061995
3-bromo-4-(2-ethylimidazol-1-yl)pyridine
CID 104778672
3-bromo-4-(2-ethylimidazol-1-yl)benzoic acid
CID 82800302
6-bromo-N,N-diethyl-2-methylquinolin-4-amine
CID 110434316
4-(2-ethylimidazol-1-yl)-2,6-dimethylpyrimidine
CID 55238460
2-(2-ethylimidazol-1-yl)-5-methylaniline
CID 61402224
6-bromo-3,4-diethyl-2-methylquinoline
CID 125452623
1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole
CID 107085938
1-[2-(bromomethyl)-4-chlorophenyl]-2-ethylimidazole
CID 107085942
[4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine
CID 80902349

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(2-ethylimidazol-1-yl)-2-methylquinoline?
The IUPAC name of 6-bromo-4-(2-ethylimidazol-1-yl)-2-methylquinoline (CID 110436010) is 6-bromo-4-(2-ethylimidazol-1-yl)-2-methylquinoline.
What is the SMILES notation for 6-bromo-4-(2-ethylimidazol-1-yl)-2-methylquinoline?
The canonical SMILES for 6-bromo-4-(2-ethylimidazol-1-yl)-2-methylquinoline is CCc1nccn1-c1cc(C)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-(2-ethylimidazol-1-yl)-2-methylquinoline?
The InChIKey is WWZWXMJHKLTOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-3-15-17-6-7-19(15)14-8-10(2)18-13-5-4-11(16)9-12(13)14/h4-9H,3H2,1-2H3.
What are the key properties of 6-bromo-4-(2-ethylimidazol-1-yl)-2-methylquinoline?
6-bromo-4-(2-ethylimidazol-1-yl)-2-methylquinoline has a molecular weight of 316.20 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(2-ethylimidazol-1-yl)-2-methylquinoline is sourced from PubChem (CID 110436010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).