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

C13H12BrN5 — CID 116783474

IUPAC3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine
SMILESCn1nncc1CNc1cccc2cc(Br)cnc12
InChIInChI=1S/C13H12BrN5/c1-19-11(8-17-18-19)7-15-12-4-2-3-9-5-10(14)6-16-13(9)12/h2-6,8,15H,7H2,1H3
InChIKeyQJVVHMJNRGMYRE-UHFFFAOYSA-N
MW318.18 g/mol
LogP2.74
Rot. Bonds3

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

3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine (PubChem CID 116783474) has the molecular formula C13H12BrN5 and a molecular weight of 318.18 g/mol. Its IUPAC name is 3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine
PubChem CID116783474
Molecular FormulaC13H12BrN5
Molecular Weight318.18 g/mol
Exact Mass317.03
IUPAC Name3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine
SMILESCn1nncc1CNc1cccc2cc(Br)cnc12
InChIInChI=1S/C13H12BrN5/c1-19-11(8-17-18-19)7-15-12-4-2-3-9-5-10(14)6-16-13(9)12/h2-6,8,15H,7H2,1H3
InChIKeyQJVVHMJNRGMYRE-UHFFFAOYSA-N
XLogP2.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine
CID 116783174
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
3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine
CID 116783545
3-bromo-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]quinolin-8-amine
CID 116784094
3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine
CID 116783537
3-bromo-N-[(3,4-difluorophenyl)methyl]quinolin-8-amine
CID 116783370
3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine
CID 116783232
4-[[(3-bromoquinolin-8-yl)amino]methyl]benzonitrile
CID 116783275
3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine
CID 116783440
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
2-bromo-6-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 107597956

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine?
The IUPAC name of 3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine (CID 116783474) is 3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine?
The canonical SMILES for 3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine is Cn1nncc1CNc1cccc2cc(Br)cnc12.
What is the InChIKey of 3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine?
The InChIKey is QJVVHMJNRGMYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5/c1-19-11(8-17-18-19)7-15-12-4-2-3-9-5-10(14)6-16-13(9)12/h2-6,8,15H,7H2,1H3.
What are the key properties of 3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine?
3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine has a molecular weight of 318.18 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine is sourced from PubChem (CID 116783474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).