3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one

C19H20N2O2 — CID 23607643

IUPAC3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one
SMILESCCN(Cc1cc2ccccc2[nH]c1=O)c1ccc(OC)cc1
InChIInChI=1S/C19H20N2O2/c1-3-21(16-8-10-17(23-2)11-9-16)13-15-12-14-6-4-5-7-18(14)20-19(15)22/h4-12H,3,13H2,1-2H3,(H,20,22)
InChIKeyWCMIEXKLNJHFFU-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.56
Rot. Bonds5

About 3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one

3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one (PubChem CID 23607643) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one
PubChem CID23607643
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one
SMILESCCN(Cc1cc2ccccc2[nH]c1=O)c1ccc(OC)cc1
InChIInChI=1S/C19H20N2O2/c1-3-21(16-8-10-17(23-2)11-9-16)13-15-12-14-6-4-5-7-18(14)20-19(15)22/h4-12H,3,13H2,1-2H3,(H,20,22)
InChIKeyWCMIEXKLNJHFFU-UHFFFAOYSA-N
XLogP3.56
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-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

Related Compounds

N-ethyl-N-(4-methoxyphenyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731840
3-[[N-(2-hydroxybutyl)anilino]methyl]-1H-quinolin-2-one
CID 111113326
3-[[(4-tert-butylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one
CID 166632914
N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 1389745
3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one
CID 111122564
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
CID 1390846
N-(4-ethoxyphenyl)-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1391190
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 3159257
N-(4-methoxyphenyl)-3-nitro-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1312261
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 945290
N-cyclohexyl-4-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1394966
N-ethyl-3-methoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1427703

Frequently Asked Questions

What is the IUPAC name of 3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one (CID 23607643) is 3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one is CCN(Cc1cc2ccccc2[nH]c1=O)c1ccc(OC)cc1.
What is the InChIKey of 3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one?
The InChIKey is WCMIEXKLNJHFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-21(16-8-10-17(23-2)11-9-16)13-15-12-14-6-4-5-7-18(14)20-19(15)22/h4-12H,3,13H2,1-2H3,(H,20,22).
What are the key properties of 3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one?
3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 23607643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).