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

C16H26N2O2 — CID 81104146

IUPAC5-(ethylamino)-1-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCNC1CCCc2c1ccc(=O)n2CCOC(C)C
InChIInChI=1S/C16H26N2O2/c1-4-17-14-6-5-7-15-13(14)8-9-16(19)18(15)10-11-20-12(2)3/h8-9,12,14,17H,4-7,10-11H2,1-3H3
InChIKeyLABFYYNICRIXFN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.26
Rot. Bonds6

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

5-(ethylamino)-1-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 81104146) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-(ethylamino)-1-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-(ethylamino)-1-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID81104146
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-(ethylamino)-1-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCNC1CCCc2c1ccc(=O)n2CCOC(C)C
InChIInChI=1S/C16H26N2O2/c1-4-17-14-6-5-7-15-13(14)8-9-16(19)18(15)10-11-20-12(2)3/h8-9,12,14,17H,4-7,10-11H2,1-3H3
InChIKeyLABFYYNICRIXFN-UHFFFAOYSA-N
XLogP2.26
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-1-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-(ethylamino)-1-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 81104146) is 5-(ethylamino)-1-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-(ethylamino)-1-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-(ethylamino)-1-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydroquinolin-2-one is CCNC1CCCc2c1ccc(=O)n2CCOC(C)C.
What is the InChIKey of 5-(ethylamino)-1-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is LABFYYNICRIXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-17-14-6-5-7-15-13(14)8-9-16(19)18(15)10-11-20-12(2)3/h8-9,12,14,17H,4-7,10-11H2,1-3H3.
What are the key properties of 5-(ethylamino)-1-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
5-(ethylamino)-1-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 278.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-1-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 81104146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).