3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one

C20H22N2O3 — CID 111122564

IUPAC3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one
SMILESCOc1ccc(C(CO)N(C)Cc2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-22(19(13-23)14-7-9-17(25-2)10-8-14)12-16-11-15-5-3-4-6-18(15)21-20(16)24/h3-11,19,23H,12-13H2,1-2H3,(H,21,24)
InChIKeyJKKSBPSYZXZYNC-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.70
Rot. Bonds6

About 3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one

3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one (PubChem CID 111122564) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one
PubChem CID111122564
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one
SMILESCOc1ccc(C(CO)N(C)Cc2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-22(19(13-23)14-7-9-17(25-2)10-8-14)12-16-11-15-5-3-4-6-18(15)21-20(16)24/h3-11,19,23H,12-13H2,1-2H3,(H,21,24)
InChIKeyJKKSBPSYZXZYNC-UHFFFAOYSA-N
XLogP2.70
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]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

2-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanol
CID 111122596
2-(4-methoxyphenyl)-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide
CID 110619593
3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one
CID 23607643
3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136689792
3-[[(4-tert-butylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one
CID 166632914
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 942796
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylacetamide
CID 945365
N-cyclohexyl-4-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1394966
N-(4-methoxyphenyl)-3-nitro-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1312261
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 935269
3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110616654
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
CID 1390846

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one (CID 111122564) is 3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one is COc1ccc(C(CO)N(C)Cc2cc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one?
The InChIKey is JKKSBPSYZXZYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-22(19(13-23)14-7-9-17(25-2)10-8-14)12-16-11-15-5-3-4-6-18(15)21-20(16)24/h3-11,19,23H,12-13H2,1-2H3,(H,21,24).
What are the key properties of 3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one?
3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 111122564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).