4-methyl-1-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one

C13H18N2O — CID 19898965

IUPAC4-methyl-1-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
SMILESCNCCN1C(=O)CC(C)c2ccccc21
InChIInChI=1S/C13H18N2O/c1-10-9-13(16)15(8-7-14-2)12-6-4-3-5-11(10)12/h3-6,10,14H,7-9H2,1-2H3
InChIKeyAONMKHSYDRJEGS-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.75
Rot. Bonds3

About 4-methyl-1-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one

4-methyl-1-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one (PubChem CID 19898965) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-methyl-1-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-methyl-1-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
PubChem CID19898965
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-methyl-1-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
SMILESCNCCN1C(=O)CC(C)c2ccccc21
InChIInChI=1S/C13H18N2O/c1-10-9-13(16)15(8-7-14-2)12-6-4-3-5-11(10)12/h3-6,10,14H,7-9H2,1-2H3
InChIKeyAONMKHSYDRJEGS-UHFFFAOYSA-N
XLogP1.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-methyl-1-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one (CID 19898965) is 4-methyl-1-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-methyl-1-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-methyl-1-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one is CNCCN1C(=O)CC(C)c2ccccc21.
What is the InChIKey of 4-methyl-1-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one?
The InChIKey is AONMKHSYDRJEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-9-13(16)15(8-7-14-2)12-6-4-3-5-11(10)12/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of 4-methyl-1-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one?
4-methyl-1-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 19898965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).