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

C13H18N2O — CID 115259298

IUPAC6-[ethyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCN(C)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C13H18N2O/c1-4-14(2)11-6-7-12-10(9-11)5-8-13(16)15(12)3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyGLLXSVDEGQWNKL-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.05
Rot. Bonds2

About 6-[ethyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one

6-[ethyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 115259298) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-[ethyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[ethyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID115259298
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-[ethyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCN(C)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C13H18N2O/c1-4-14(2)11-6-7-12-10(9-11)5-8-13(16)15(12)3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyGLLXSVDEGQWNKL-UHFFFAOYSA-N
XLogP2.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[ethyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one (CID 115259298) is 6-[ethyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[ethyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[ethyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one is CCN(C)c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 6-[ethyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is GLLXSVDEGQWNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-14(2)11-6-7-12-10(9-11)5-8-13(16)15(12)3/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 6-[ethyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
6-[ethyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115259298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).