6-ethoxyisoquinolin-1-amine

C11H12N2O — CID 82062973

IUPAC6-ethoxyisoquinolin-1-amine
SMILESCCOc1ccc2c(N)nccc2c1
InChIInChI=1S/C11H12N2O/c1-2-14-9-3-4-10-8(7-9)5-6-13-11(10)12/h3-7H,2H2,1H3,(H2,12,13)
InChIKeyCCZJQETZFUWQMV-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.22
Rot. Bonds2

About 6-ethoxyisoquinolin-1-amine

6-ethoxyisoquinolin-1-amine (PubChem CID 82062973) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-ethoxyisoquinolin-1-amine.

Molecular Properties

Compound Name6-ethoxyisoquinolin-1-amine
PubChem CID82062973
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name6-ethoxyisoquinolin-1-amine
SMILESCCOc1ccc2c(N)nccc2c1
InChIInChI=1S/C11H12N2O/c1-2-14-9-3-4-10-8(7-9)5-6-13-11(10)12/h3-7H,2H2,1H3,(H2,12,13)
InChIKeyCCZJQETZFUWQMV-UHFFFAOYSA-N
XLogP2.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethoxy-1-pyrrolidin-1-yloxyisoquinoline
CID 141163283
2,6-diethoxyanthracene
CID 12651989
6-(methylaminomethyl)isoquinolin-1-amine
CID 139340899
3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one
CID 135838153
1-bromo-6-ethoxynaphthalene
CID 151004603
(1-aminoisoquinolin-6-yl) 2-naphthalen-1-ylacetate
CID 101133326
4-ethoxy-2-ethylpyridine
CID 59520086
7-methylisoquinolin-1-amine;propane
CID 142933220
5-ethoxy-1H-indazol-3-amine
CID 21409200
4-bromo-7-ethoxyquinoline
CID 119087799
2-ethoxynaphthalene
CID 118978197
7-methylisoquinolin-1-amine
CID 18727905

Frequently Asked Questions

What is the IUPAC name of 6-ethoxyisoquinolin-1-amine?
The IUPAC name of 6-ethoxyisoquinolin-1-amine (CID 82062973) is 6-ethoxyisoquinolin-1-amine.
What is the SMILES notation for 6-ethoxyisoquinolin-1-amine?
The canonical SMILES for 6-ethoxyisoquinolin-1-amine is CCOc1ccc2c(N)nccc2c1.
What is the InChIKey of 6-ethoxyisoquinolin-1-amine?
The InChIKey is CCZJQETZFUWQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-14-9-3-4-10-8(7-9)5-6-13-11(10)12/h3-7H,2H2,1H3,(H2,12,13).
What are the key properties of 6-ethoxyisoquinolin-1-amine?
6-ethoxyisoquinolin-1-amine has a molecular weight of 188.23 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxyisoquinolin-1-amine is sourced from PubChem (CID 82062973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).