5-amino-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one

C13H20N2O3 — CID 81104279

IUPAC5-amino-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESNC1CCCc2c1ccc(=O)n2CCOCCO
InChIInChI=1S/C13H20N2O3/c14-11-2-1-3-12-10(11)4-5-13(17)15(12)6-8-18-9-7-16/h4-5,11,16H,1-3,6-9,14H2
InChIKeyQOZKUAADGNIHMI-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.19
Rot. Bonds5

About 5-amino-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one

5-amino-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 81104279) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-amino-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID81104279
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-amino-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESNC1CCCc2c1ccc(=O)n2CCOCCO
InChIInChI=1S/C13H20N2O3/c14-11-2-1-3-12-10(11)4-5-13(17)15(12)6-8-18-9-7-16/h4-5,11,16H,1-3,6-9,14H2
InChIKeyQOZKUAADGNIHMI-UHFFFAOYSA-N
XLogP0.19
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2(1H)-one
CID 118738741
5-Amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 81104349
5-(Methylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 81115087
8-[ethyl(2-hydroxyethyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 13463811
5-Amino-1-(2-butoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 81104141
5-(Ethylamino)-1-(3-hydroxypropyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 81104145
5-(Ethylamino)-1-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 81104146
5-Amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 81104280
1-(3-Hydroxypropyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 81104281
5-(Ethylamino)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 81104284
5-Amino-1-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 81104350
1-(2-Hydroxyethyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 81104354

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-amino-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one (CID 81104279) is 5-amino-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-amino-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-amino-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one is NC1CCCc2c1ccc(=O)n2CCOCCO.
What is the InChIKey of 5-amino-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is QOZKUAADGNIHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c14-11-2-1-3-12-10(11)4-5-13(17)15(12)6-8-18-9-7-16/h4-5,11,16H,1-3,6-9,14H2.
What are the key properties of 5-amino-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
5-amino-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 252.31 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 81104279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).