4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

C12H15NO4 — CID 84628790

IUPAC4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1)C(CO)CC(=O)N2
InChIInChI=1S/C12H15NO4/c1-16-8-4-9-12(10(5-8)17-2)7(6-14)3-11(15)13-9/h4-5,7,14H,3,6H2,1-2H3,(H,13,15)
InChIKeyLNJIBGXEMSNGCZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.12
Rot. Bonds3

About 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 84628790) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID84628790
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1)C(CO)CC(=O)N2
InChIInChI=1S/C12H15NO4/c1-16-8-4-9-12(10(5-8)17-2)7(6-14)3-11(15)13-9/h4-5,7,14H,3,6H2,1-2H3,(H,13,15)
InChIKeyLNJIBGXEMSNGCZ-UHFFFAOYSA-N
XLogP1.12
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-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

Quinolinone B
CID 101083381
6,7-Dimethoxy-4-(2,3,4-trimethoxy-phenyl)-3,4-dihydro-1H-quinolin-2-one
CID 3158484
5,6,7-trimethoxy-4-[3-methoxy-2-(propan-2-yloxy)phenyl]-3,4-dihydroquinolin-2(1H)-one
CID 3162326
5,6,7-trimethoxy-4-(3-methoxy-2-propoxyphenyl)-3,4-dihydroquinolin-2(1H)-one
CID 3237675
4-(2,5-dimethoxyphenyl)-5,6,7-trimethoxy-3,4-dihydroquinolin-2(1H)-one
CID 3238375
4-(2,3-Difluorophenyl)-5,7-dimethoxy-1,3,4-trihydroquinolin-2-one
CID 15989879
4-(2-ethoxyphenyl)-5,6,7-trimethoxy-3,4-dihydroquinolin-2(1H)-one
CID 3242555
4-(4-Hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1,3,4-trihydroquinolin-2-one
CID 3334197
4-(2,3-Dimethoxyphenyl)-5,7-dimethoxy-1,3,4-trihydroquinolin-2-one
CID 2997284
4-(2,3-dimethoxyphenyl)-5,6,7-trimethoxy-3,4-dihydroquinolin-2(1H)-one
CID 3240416
4-(2-Fluorophenyl)-5,6,7-trimethoxy-1,3,4-trihydroquinolin-2-one
CID 2972643
4-(3,4-difluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2997146

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 84628790) is 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(c(OC)c1)C(CO)CC(=O)N2.
What is the InChIKey of 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LNJIBGXEMSNGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-8-4-9-12(10(5-8)17-2)7(6-14)3-11(15)13-9/h4-5,7,14H,3,6H2,1-2H3,(H,13,15).
What are the key properties of 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 237.25 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 84628790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).