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

C14H22N2O — CID 81104285

IUPAC5-(ethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCn1c2c(ccc1=O)C(NCC)CCC2
InChIInChI=1S/C14H22N2O/c1-3-10-16-13-7-5-6-12(15-4-2)11(13)8-9-14(16)17/h8-9,12,15H,3-7,10H2,1-2H3
InChIKeyBJZWKWAOFYXUHG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.25
Rot. Bonds4

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

5-(ethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 81104285) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-(ethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-(ethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID81104285
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-(ethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCn1c2c(ccc1=O)C(NCC)CCC2
InChIInChI=1S/C14H22N2O/c1-3-10-16-13-7-5-6-12(15-4-2)11(13)8-9-14(16)17/h8-9,12,15H,3-7,10H2,1-2H3
InChIKeyBJZWKWAOFYXUHG-UHFFFAOYSA-N
XLogP2.25
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-(ethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one (CID 81104285) is 5-(ethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-(ethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-(ethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one is CCCn1c2c(ccc1=O)C(NCC)CCC2.
What is the InChIKey of 5-(ethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is BJZWKWAOFYXUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-10-16-13-7-5-6-12(15-4-2)11(13)8-9-14(16)17/h8-9,12,15H,3-7,10H2,1-2H3.
What are the key properties of 5-(ethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one?
5-(ethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 234.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 81104285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).