1-ethyl-4-hydroxy-6-methylquinolin-2-one

C12H13NO2 — CID 54696301

IUPAC1-ethyl-4-hydroxy-6-methylquinolin-2-one
SMILESCCn1c(=O)cc(O)c2cc(C)ccc21
InChIInChI=1S/C12H13NO2/c1-3-13-10-5-4-8(2)6-9(10)11(14)7-12(13)15/h4-7,14H,3H2,1-2H3
InChIKeyNBQFLJHARUBXDQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.04
Rot. Bonds1

About 1-ethyl-4-hydroxy-6-methylquinolin-2-one

1-ethyl-4-hydroxy-6-methylquinolin-2-one (PubChem CID 54696301) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-6-methylquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-6-methylquinolin-2-one
PubChem CID54696301
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-ethyl-4-hydroxy-6-methylquinolin-2-one
SMILESCCn1c(=O)cc(O)c2cc(C)ccc21
InChIInChI=1S/C12H13NO2/c1-3-13-10-5-4-8(2)6-9(10)11(14)7-12(13)15/h4-7,14H,3H2,1-2H3
InChIKeyNBQFLJHARUBXDQ-UHFFFAOYSA-N
XLogP2.04
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-6-methylquinolin-2-one?
The IUPAC name of 1-ethyl-4-hydroxy-6-methylquinolin-2-one (CID 54696301) is 1-ethyl-4-hydroxy-6-methylquinolin-2-one.
What is the SMILES notation for 1-ethyl-4-hydroxy-6-methylquinolin-2-one?
The canonical SMILES for 1-ethyl-4-hydroxy-6-methylquinolin-2-one is CCn1c(=O)cc(O)c2cc(C)ccc21.
What is the InChIKey of 1-ethyl-4-hydroxy-6-methylquinolin-2-one?
The InChIKey is NBQFLJHARUBXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-13-10-5-4-8(2)6-9(10)11(14)7-12(13)15/h4-7,14H,3H2,1-2H3.
What are the key properties of 1-ethyl-4-hydroxy-6-methylquinolin-2-one?
1-ethyl-4-hydroxy-6-methylquinolin-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-6-methylquinolin-2-one is sourced from PubChem (CID 54696301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).