5-(ethylamino)-1-(2-propoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one

C16H26N2O2 — CID 106454570

IUPAC5-(ethylamino)-1-(2-propoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCOCCn1c2c(ccc1=O)C(NCC)CCC2
InChIInChI=1S/C16H26N2O2/c1-3-11-20-12-10-18-15-7-5-6-14(17-4-2)13(15)8-9-16(18)19/h8-9,14,17H,3-7,10-12H2,1-2H3
InChIKeyNMYRQHPKEAPUKZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.26
Rot. Bonds7

About 5-(ethylamino)-1-(2-propoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one

5-(ethylamino)-1-(2-propoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 106454570) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-(ethylamino)-1-(2-propoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-(ethylamino)-1-(2-propoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID106454570
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-(ethylamino)-1-(2-propoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCOCCn1c2c(ccc1=O)C(NCC)CCC2
InChIInChI=1S/C16H26N2O2/c1-3-11-20-12-10-18-15-7-5-6-14(17-4-2)13(15)8-9-16(18)19/h8-9,14,17H,3-7,10-12H2,1-2H3
InChIKeyNMYRQHPKEAPUKZ-UHFFFAOYSA-N
XLogP2.26
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-1-(2-propoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-(ethylamino)-1-(2-propoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 106454570) is 5-(ethylamino)-1-(2-propoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-(ethylamino)-1-(2-propoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-(ethylamino)-1-(2-propoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one is CCCOCCn1c2c(ccc1=O)C(NCC)CCC2.
What is the InChIKey of 5-(ethylamino)-1-(2-propoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is NMYRQHPKEAPUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-11-20-12-10-18-15-7-5-6-14(17-4-2)13(15)8-9-16(18)19/h8-9,14,17H,3-7,10-12H2,1-2H3.
What are the key properties of 5-(ethylamino)-1-(2-propoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
5-(ethylamino)-1-(2-propoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 278.40 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-1-(2-propoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 106454570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).