5-methoxyisoquinoline-1,4-diamine

C10H11N3O — CID 84661992

IUPAC5-methoxyisoquinoline-1,4-diamine
SMILESCOc1cccc2c(N)ncc(N)c12
InChIInChI=1S/C10H11N3O/c1-14-8-4-2-3-6-9(8)7(11)5-13-10(6)12/h2-5H,11H2,1H3,(H2,12,13)
InChIKeyICPGBFUQKPYBRA-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.41
Rot. Bonds1

About 5-methoxyisoquinoline-1,4-diamine

5-methoxyisoquinoline-1,4-diamine (PubChem CID 84661992) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-methoxyisoquinoline-1,4-diamine.

Molecular Properties

Compound Name5-methoxyisoquinoline-1,4-diamine
PubChem CID84661992
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name5-methoxyisoquinoline-1,4-diamine
SMILESCOc1cccc2c(N)ncc(N)c12
InChIInChI=1S/C10H11N3O/c1-14-8-4-2-3-6-9(8)7(11)5-13-10(6)12/h2-5H,11H2,1H3,(H2,12,13)
InChIKeyICPGBFUQKPYBRA-UHFFFAOYSA-N
XLogP1.41
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-4-(trifluoromethyl)isoquinolin-1-amine
CID 115063137
4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-1-amine
CID 142739735
5-methoxy-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine
CID 177413638
4-bromo-1,5-dimethoxyisoquinoline
CID 84712002
1,8-dimethoxynaphthalen-2-amine
CID 115022882
6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine
CID 82794447
4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine
CID 79917584
[2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine
CID 82083022
1-methoxyanthracen-9-amine
CID 23131408
5-(2-fluoro-3-methoxyphenyl)-3-methylpyridin-2-amine
CID 83170169
5-(2,3-dimethoxyphenyl)pyrimidin-4-amine
CID 174611926
8-methoxy-9-methylpyrido[3,4-b]indol-1-amine
CID 115036068

Frequently Asked Questions

What is the IUPAC name of 5-methoxyisoquinoline-1,4-diamine?
The IUPAC name of 5-methoxyisoquinoline-1,4-diamine (CID 84661992) is 5-methoxyisoquinoline-1,4-diamine.
What is the SMILES notation for 5-methoxyisoquinoline-1,4-diamine?
The canonical SMILES for 5-methoxyisoquinoline-1,4-diamine is COc1cccc2c(N)ncc(N)c12.
What is the InChIKey of 5-methoxyisoquinoline-1,4-diamine?
The InChIKey is ICPGBFUQKPYBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-14-8-4-2-3-6-9(8)7(11)5-13-10(6)12/h2-5H,11H2,1H3,(H2,12,13).
What are the key properties of 5-methoxyisoquinoline-1,4-diamine?
5-methoxyisoquinoline-1,4-diamine has a molecular weight of 189.22 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyisoquinoline-1,4-diamine is sourced from PubChem (CID 84661992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).