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

C12H13NO3 — CID 865121

IUPAC6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CO)cc2c1
InChIInChI=1S/C12H13NO3/c1-2-16-10-3-4-11-8(6-10)5-9(7-14)12(15)13-11/h3-6,14H,2,7H2,1H3,(H,13,15)
InChIKeyUIMGWMUAIDLQEG-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.42
Rot. Bonds3

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

6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one (PubChem CID 865121) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one
PubChem CID865121
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CO)cc2c1
InChIInChI=1S/C12H13NO3/c1-2-16-10-3-4-11-8(6-10)5-9(7-14)12(15)13-11/h3-6,14H,2,7H2,1H3,(H,13,15)
InChIKeyUIMGWMUAIDLQEG-UHFFFAOYSA-N
XLogP1.42
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one
CID 25318901
3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3171691
6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one
CID 3215146
2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methylazaniumyl]ethyl-dimethylazanium
CID 7108504
(2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 95220563
6-ethoxy-N'-hydroxy-2-oxo-1H-quinoline-3-carboximidamide
CID 135704525
6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one
CID 56714540
N-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459205
6-ethoxy-3-(3-morpholin-4-ylpropyl)-1H-quinolin-2-one
CID 170870835
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea
CID 3172035
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-methoxyphenyl)urea
CID 1430887

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one?
The IUPAC name of 6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one (CID 865121) is 6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c(CO)cc2c1.
What is the InChIKey of 6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one?
The InChIKey is UIMGWMUAIDLQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-16-10-3-4-11-8(6-10)5-9(7-14)12(15)13-11/h3-6,14H,2,7H2,1H3,(H,13,15).
What are the key properties of 6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one?
6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one has a molecular weight of 219.24 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one is sourced from PubChem (CID 865121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).