4-(hydroxymethyl)-1-methylquinolin-2-one

C11H11NO2 — CID 45117440

IUPAC4-(hydroxymethyl)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(CO)c2ccccc21
InChIInChI=1S/C11H11NO2/c1-12-10-5-3-2-4-9(10)8(7-13)6-11(12)14/h2-6,13H,7H2,1H3
InChIKeyVTYDSAOMKQENIX-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.03
Rot. Bonds1

About 4-(hydroxymethyl)-1-methylquinolin-2-one

4-(hydroxymethyl)-1-methylquinolin-2-one (PubChem CID 45117440) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-methylquinolin-2-one
PubChem CID45117440
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name4-(hydroxymethyl)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(CO)c2ccccc21
InChIInChI=1S/C11H11NO2/c1-12-10-5-3-2-4-9(10)8(7-13)6-11(12)14/h2-6,13H,7H2,1H3
InChIKeyVTYDSAOMKQENIX-UHFFFAOYSA-N
XLogP1.03
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-methylquinolin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-methylquinolin-2-one (CID 45117440) is 4-(hydroxymethyl)-1-methylquinolin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-methylquinolin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-methylquinolin-2-one is Cn1c(=O)cc(CO)c2ccccc21.
What is the InChIKey of 4-(hydroxymethyl)-1-methylquinolin-2-one?
The InChIKey is VTYDSAOMKQENIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-12-10-5-3-2-4-9(10)8(7-13)6-11(12)14/h2-6,13H,7H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-methylquinolin-2-one?
4-(hydroxymethyl)-1-methylquinolin-2-one has a molecular weight of 189.21 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-methylquinolin-2-one is sourced from PubChem (CID 45117440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).