1-[2-(dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one

C16H27N3O — CID 118745778

IUPAC1-[2-(dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)NC1CCc2c(ccc(=O)n2CCN(C)C)C1
InChIInChI=1S/C16H27N3O/c1-12(2)17-14-6-7-15-13(11-14)5-8-16(20)19(15)10-9-18(3)4/h5,8,12,14,17H,6-7,9-11H2,1-4H3
InChIKeyBBXRTZBVTVMUDV-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.27
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one

1-[2-(dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 118745778) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID118745778
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[2-(dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)NC1CCc2c(ccc(=O)n2CCN(C)C)C1
InChIInChI=1S/C16H27N3O/c1-12(2)17-14-6-7-15-13(11-14)5-8-16(20)19(15)10-9-18(3)4/h5,8,12,14,17H,6-7,9-11H2,1-4H3
InChIKeyBBXRTZBVTVMUDV-UHFFFAOYSA-N
XLogP1.27
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one (CID 118745778) is 1-[2-(dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one is CC(C)NC1CCc2c(ccc(=O)n2CCN(C)C)C1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is BBXRTZBVTVMUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)17-14-6-7-15-13(11-14)5-8-16(20)19(15)10-9-18(3)4/h5,8,12,14,17H,6-7,9-11H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one?
1-[2-(dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 277.41 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 118745778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).