4-bromo-6-methoxyisoquinolin-1-amine

C10H9BrN2O — CID 84707747

IUPAC4-bromo-6-methoxyisoquinolin-1-amine
SMILESCOc1ccc2c(N)ncc(Br)c2c1
InChIInChI=1S/C10H9BrN2O/c1-14-6-2-3-7-8(4-6)9(11)5-13-10(7)12/h2-5H,1H3,(H2,12,13)
InChIKeyBNWJTMKLMMTFKA-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.59
Rot. Bonds1

About 4-bromo-6-methoxyisoquinolin-1-amine

4-bromo-6-methoxyisoquinolin-1-amine (PubChem CID 84707747) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 4-bromo-6-methoxyisoquinolin-1-amine.

Molecular Properties

Compound Name4-bromo-6-methoxyisoquinolin-1-amine
PubChem CID84707747
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name4-bromo-6-methoxyisoquinolin-1-amine
SMILESCOc1ccc2c(N)ncc(Br)c2c1
InChIInChI=1S/C10H9BrN2O/c1-14-6-2-3-7-8(4-6)9(11)5-13-10(7)12/h2-5H,1H3,(H2,12,13)
InChIKeyBNWJTMKLMMTFKA-UHFFFAOYSA-N
XLogP2.59
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-4-methylphthalazin-1-amine
CID 170258561
4-bromo-6-methoxycinnoline
CID 53415017
5-(2-bromo-4-methoxyphenoxy)pyrazin-2-amine
CID 104708756
2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline
CID 102703005
2,6-dibromo-4-methoxyaniline
CID 542895
3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine
CID 65318561
2,4,6-trimethoxynaphthalen-1-amine
CID 123693588
4-bromo-1-methoxy-6-methylisoquinoline
CID 84707543
6-methoxyphthalazin-1-amine
CID 130119690
3-bromo-7-methoxyquinolin-2-amine
CID 126637777
5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 66303664
7-methoxy-1,4-dimethylisoquinoline
CID 72544129

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methoxyisoquinolin-1-amine?
The IUPAC name of 4-bromo-6-methoxyisoquinolin-1-amine (CID 84707747) is 4-bromo-6-methoxyisoquinolin-1-amine.
What is the SMILES notation for 4-bromo-6-methoxyisoquinolin-1-amine?
The canonical SMILES for 4-bromo-6-methoxyisoquinolin-1-amine is COc1ccc2c(N)ncc(Br)c2c1.
What is the InChIKey of 4-bromo-6-methoxyisoquinolin-1-amine?
The InChIKey is BNWJTMKLMMTFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-14-6-2-3-7-8(4-6)9(11)5-13-10(7)12/h2-5H,1H3,(H2,12,13).
What are the key properties of 4-bromo-6-methoxyisoquinolin-1-amine?
4-bromo-6-methoxyisoquinolin-1-amine has a molecular weight of 253.10 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methoxyisoquinolin-1-amine is sourced from PubChem (CID 84707747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).