4-bromo-N-ethyl-8-fluoroisoquinolin-1-amine

C11H10BrFN2 — CID 82572211

IUPAC4-bromo-N-ethyl-8-fluoroisoquinolin-1-amine
SMILESCCNc1ncc(Br)c2cccc(F)c12
InChIInChI=1S/C11H10BrFN2/c1-2-14-11-10-7(8(12)6-15-11)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyIQTYHQUWEIVRAB-UHFFFAOYSA-N
MW269.12 g/mol
LogP3.57
Rot. Bonds2

About 4-bromo-N-ethyl-8-fluoroisoquinolin-1-amine

4-bromo-N-ethyl-8-fluoroisoquinolin-1-amine (PubChem CID 82572211) has the molecular formula C11H10BrFN2 and a molecular weight of 269.12 g/mol. Its IUPAC name is 4-bromo-N-ethyl-8-fluoroisoquinolin-1-amine.

Molecular Properties

Compound Name4-bromo-N-ethyl-8-fluoroisoquinolin-1-amine
PubChem CID82572211
Molecular FormulaC11H10BrFN2
Molecular Weight269.12 g/mol
Exact Mass268.00
IUPAC Name4-bromo-N-ethyl-8-fluoroisoquinolin-1-amine
SMILESCCNc1ncc(Br)c2cccc(F)c12
InChIInChI=1S/C11H10BrFN2/c1-2-14-11-10-7(8(12)6-15-11)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyIQTYHQUWEIVRAB-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.12
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 107604672
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CID 23270171
5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide
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4-bromo-N,5-dimethylisoquinolin-1-amine
CID 82572195
5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 62166744
5-bromo-N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66304099
5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine
CID 79717868
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
8-bromo-4-(ethylamino)quinoline-3-carbonitrile
CID 62189745
5-bromo-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine
CID 66295874
6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine
CID 106646886
5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine
CID 66302872

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-8-fluoroisoquinolin-1-amine?
The IUPAC name of 4-bromo-N-ethyl-8-fluoroisoquinolin-1-amine (CID 82572211) is 4-bromo-N-ethyl-8-fluoroisoquinolin-1-amine.
What is the SMILES notation for 4-bromo-N-ethyl-8-fluoroisoquinolin-1-amine?
The canonical SMILES for 4-bromo-N-ethyl-8-fluoroisoquinolin-1-amine is CCNc1ncc(Br)c2cccc(F)c12.
What is the InChIKey of 4-bromo-N-ethyl-8-fluoroisoquinolin-1-amine?
The InChIKey is IQTYHQUWEIVRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2/c1-2-14-11-10-7(8(12)6-15-11)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 4-bromo-N-ethyl-8-fluoroisoquinolin-1-amine?
4-bromo-N-ethyl-8-fluoroisoquinolin-1-amine has a molecular weight of 269.12 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-8-fluoroisoquinolin-1-amine is sourced from PubChem (CID 82572211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).