3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine

C16H14BrN3 — CID 116783273

IUPAC3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine
SMILESCC(Nc1cccc2cc(Br)cnc12)c1ccncc1
InChIInChI=1S/C16H14BrN3/c1-11(12-5-7-18-8-6-12)20-15-4-2-3-13-9-14(17)10-19-16(13)15/h2-11,20H,1H3
InChIKeyPCQBZKVQVZUZJF-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.57
Rot. Bonds3

About 3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine

3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine (PubChem CID 116783273) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine
PubChem CID116783273
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine
SMILESCC(Nc1cccc2cc(Br)cnc12)c1ccncc1
InChIInChI=1S/C16H14BrN3/c1-11(12-5-7-18-8-6-12)20-15-4-2-3-13-9-14(17)10-19-16(13)15/h2-11,20H,1H3
InChIKeyPCQBZKVQVZUZJF-UHFFFAOYSA-N
XLogP4.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(1-phenylethyl)quinolin-8-amine
CID 116783523
3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine
CID 116783437
3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine
CID 116783435
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
3-bromo-N-but-3-yn-2-ylquinolin-8-amine
CID 116784222
3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine
CID 116783492
ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate
CID 116784151
3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine
CID 116783292
3-bromo-N-phenylquinolin-8-amine
CID 86754991
ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate
CID 116784288
N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide
CID 116784833
N-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine
CID 116783701

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine?
The IUPAC name of 3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine (CID 116783273) is 3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine?
The canonical SMILES for 3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine is CC(Nc1cccc2cc(Br)cnc12)c1ccncc1.
What is the InChIKey of 3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine?
The InChIKey is PCQBZKVQVZUZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-11(12-5-7-18-8-6-12)20-15-4-2-3-13-9-14(17)10-19-16(13)15/h2-11,20H,1H3.
What are the key properties of 3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine?
3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine has a molecular weight of 328.21 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine is sourced from PubChem (CID 116783273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).