3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine

C15H15BrN4 — CID 116783174

IUPAC3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine
SMILESCCn1cncc1CNc1cccc2cc(Br)cnc12
InChIInChI=1S/C15H15BrN4/c1-2-20-10-17-8-13(20)9-18-14-5-3-4-11-6-12(16)7-19-15(11)14/h3-8,10,18H,2,9H2,1H3
InChIKeyHLSGIDXBRDXKNG-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.83
Rot. Bonds4

About 3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine

3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine (PubChem CID 116783174) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine
PubChem CID116783174
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine
SMILESCCn1cncc1CNc1cccc2cc(Br)cnc12
InChIInChI=1S/C15H15BrN4/c1-2-20-10-17-8-13(20)9-18-14-5-3-4-11-6-12(16)7-19-15(11)14/h3-8,10,18H,2,9H2,1H3
InChIKeyHLSGIDXBRDXKNG-UHFFFAOYSA-N
XLogP3.83
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine
CID 116783474
3-bromo-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]quinolin-8-amine
CID 116784094
N-[(3-propylimidazol-4-yl)methyl]quinolin-8-amine
CID 66135184
3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine
CID 116783312
3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine
CID 116784241
2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline
CID 66118638
6-bromo-N-[(3-ethylimidazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 114050656
3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine
CID 116783537
4-[[(3-bromoquinolin-8-yl)amino]methyl]benzonitrile
CID 116783275
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
3-bromo-N-(3-ethoxypropyl)quinolin-8-amine
CID 116784215
3-bromo-N-[(3,4-difluorophenyl)methyl]quinolin-8-amine
CID 116783370

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine?
The IUPAC name of 3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine (CID 116783174) is 3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine?
The canonical SMILES for 3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine is CCn1cncc1CNc1cccc2cc(Br)cnc12.
What is the InChIKey of 3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine?
The InChIKey is HLSGIDXBRDXKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-2-20-10-17-8-13(20)9-18-14-5-3-4-11-6-12(16)7-19-15(11)14/h3-8,10,18H,2,9H2,1H3.
What are the key properties of 3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine?
3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine has a molecular weight of 331.22 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine is sourced from PubChem (CID 116783174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).