1-methyl-4-(3-propoxypropylamino)-3,4-dihydroquinolin-2-one

C16H24N2O2 — CID 82940528

IUPAC1-methyl-4-(3-propoxypropylamino)-3,4-dihydroquinolin-2-one
SMILESCCCOCCCNC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C16H24N2O2/c1-3-10-20-11-6-9-17-14-12-16(19)18(2)15-8-5-4-7-13(14)15/h4-5,7-8,14,17H,3,6,9-12H2,1-2H3
InChIKeyACKBNLYBIBRKSJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.50
Rot. Bonds7

About 1-methyl-4-(3-propoxypropylamino)-3,4-dihydroquinolin-2-one

1-methyl-4-(3-propoxypropylamino)-3,4-dihydroquinolin-2-one (PubChem CID 82940528) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-methyl-4-(3-propoxypropylamino)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-(3-propoxypropylamino)-3,4-dihydroquinolin-2-one
PubChem CID82940528
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-methyl-4-(3-propoxypropylamino)-3,4-dihydroquinolin-2-one
SMILESCCCOCCCNC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C16H24N2O2/c1-3-10-20-11-6-9-17-14-12-16(19)18(2)15-8-5-4-7-13(14)15/h4-5,7-8,14,17H,3,6,9-12H2,1-2H3
InChIKeyACKBNLYBIBRKSJ-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-4-(3-propoxypropylamino)-3,4-dihydroquinolin-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-methyl-4-(3-propoxypropylamino)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-4-(3-propoxypropylamino)-3,4-dihydroquinolin-2-one (CID 82940528) is 1-methyl-4-(3-propoxypropylamino)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-4-(3-propoxypropylamino)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-4-(3-propoxypropylamino)-3,4-dihydroquinolin-2-one is CCCOCCCNC1CC(=O)N(C)c2ccccc21.
What is the InChIKey of 1-methyl-4-(3-propoxypropylamino)-3,4-dihydroquinolin-2-one?
The InChIKey is ACKBNLYBIBRKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-10-20-11-6-9-17-14-12-16(19)18(2)15-8-5-4-7-13(14)15/h4-5,7-8,14,17H,3,6,9-12H2,1-2H3.
What are the key properties of 1-methyl-4-(3-propoxypropylamino)-3,4-dihydroquinolin-2-one?
1-methyl-4-(3-propoxypropylamino)-3,4-dihydroquinolin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-propoxypropylamino)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 82940528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).