3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one

C11H11NO3 — CID 865120

IUPAC3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CO)cc2c1
InChIInChI=1S/C11H11NO3/c1-15-9-2-3-10-7(5-9)4-8(6-13)11(14)12-10/h2-5,13H,6H2,1H3,(H,12,14)
InChIKeyCYUWJGLRDMSNMW-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.03
Rot. Bonds2

About 3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one

3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one (PubChem CID 865120) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
PubChem CID865120
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CO)cc2c1
InChIInChI=1S/C11H11NO3/c1-15-9-2-3-10-7(5-9)4-8(6-13)11(14)12-10/h2-5,13H,6H2,1H3,(H,12,14)
InChIKeyCYUWJGLRDMSNMW-UHFFFAOYSA-N
XLogP1.03
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one
CID 865121
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324860
2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride
CID 13342125
4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide
CID 1427706
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 665282
N,N-diethyl-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174783
3-amino-6-methoxy-1H-quinolin-2-one
CID 115018057
3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 856495
6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane
CID 170632349
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide
CID 907840
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009
3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one
CID 18525193

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one (CID 865120) is 3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CO)cc2c1.
What is the InChIKey of 3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one?
The InChIKey is CYUWJGLRDMSNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-9-2-3-10-7(5-9)4-8(6-13)11(14)12-10/h2-5,13H,6H2,1H3,(H,12,14).
What are the key properties of 3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one?
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one has a molecular weight of 205.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 865120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).