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

C12H18N2O2 — CID 118738741

IUPAC6-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOCCn1c2c(ccc1=O)CC(N)CC2
InChIInChI=1S/C12H18N2O2/c1-16-7-6-14-11-4-3-10(13)8-9(11)2-5-12(14)15/h2,5,10H,3-4,6-8,13H2,1H3
InChIKeyBFNBZJNDPVBQQX-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.31
Rot. Bonds3

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

6-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 118738741) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID118738741
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name6-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOCCn1c2c(ccc1=O)CC(N)CC2
InChIInChI=1S/C12H18N2O2/c1-16-7-6-14-11-4-3-10(13)8-9(11)2-5-12(14)15/h2,5,10H,3-4,6-8,13H2,1H3
InChIKeyBFNBZJNDPVBQQX-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 6-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 118738741) is 6-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 6-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one is COCCn1c2c(ccc1=O)CC(N)CC2.
What is the InChIKey of 6-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is BFNBZJNDPVBQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-7-6-14-11-4-3-10(13)8-9(11)2-5-12(14)15/h2,5,10H,3-4,6-8,13H2,1H3.
What are the key properties of 6-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
6-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 118738741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).