5-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one

C12H18N2O2 — CID 81104280

IUPAC5-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOCCn1c2c(ccc1=O)C(N)CCC2
InChIInChI=1S/C12H18N2O2/c1-16-8-7-14-11-4-2-3-10(13)9(11)5-6-12(14)15/h5-6,10H,2-4,7-8,13H2,1H3
InChIKeyVFRBAUGWYAGVQJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.83
Rot. Bonds3

About 5-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one

5-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 81104280) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID81104280
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOCCn1c2c(ccc1=O)C(N)CCC2
InChIInChI=1S/C12H18N2O2/c1-16-8-7-14-11-4-2-3-10(13)9(11)5-6-12(14)15/h5-6,10H,2-4,7-8,13H2,1H3
InChIKeyVFRBAUGWYAGVQJ-UHFFFAOYSA-N
XLogP0.83
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 81104280) is 5-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one is COCCn1c2c(ccc1=O)C(N)CCC2.
What is the InChIKey of 5-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is VFRBAUGWYAGVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-8-7-14-11-4-2-3-10(13)9(11)5-6-12(14)15/h5-6,10H,2-4,7-8,13H2,1H3.
What are the key properties of 5-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
5-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 81104280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).