8-(1,2-dihydroxyethyl)-1-methylquinolin-2-one

C12H13NO3 — CID 131739844

IUPAC8-(1,2-dihydroxyethyl)-1-methylquinolin-2-one
SMILESCn1c(=O)ccc2cccc(C(O)CO)c21
InChIInChI=1S/C12H13NO3/c1-13-11(16)6-5-8-3-2-4-9(12(8)13)10(15)7-14/h2-6,10,14-15H,7H2,1H3
InChIKeyIMNTWYDBKXIJPX-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.56
Rot. Bonds2

About 8-(1,2-dihydroxyethyl)-1-methylquinolin-2-one

8-(1,2-dihydroxyethyl)-1-methylquinolin-2-one (PubChem CID 131739844) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 8-(1,2-dihydroxyethyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name8-(1,2-dihydroxyethyl)-1-methylquinolin-2-one
PubChem CID131739844
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name8-(1,2-dihydroxyethyl)-1-methylquinolin-2-one
SMILESCn1c(=O)ccc2cccc(C(O)CO)c21
InChIInChI=1S/C12H13NO3/c1-13-11(16)6-5-8-3-2-4-9(12(8)13)10(15)7-14/h2-6,10,14-15H,7H2,1H3
InChIKeyIMNTWYDBKXIJPX-UHFFFAOYSA-N
XLogP0.56
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(1,2-dihydroxyethyl)-1-methylquinolin-2-one?
The IUPAC name of 8-(1,2-dihydroxyethyl)-1-methylquinolin-2-one (CID 131739844) is 8-(1,2-dihydroxyethyl)-1-methylquinolin-2-one.
What is the SMILES notation for 8-(1,2-dihydroxyethyl)-1-methylquinolin-2-one?
The canonical SMILES for 8-(1,2-dihydroxyethyl)-1-methylquinolin-2-one is Cn1c(=O)ccc2cccc(C(O)CO)c21.
What is the InChIKey of 8-(1,2-dihydroxyethyl)-1-methylquinolin-2-one?
The InChIKey is IMNTWYDBKXIJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-13-11(16)6-5-8-3-2-4-9(12(8)13)10(15)7-14/h2-6,10,14-15H,7H2,1H3.
What are the key properties of 8-(1,2-dihydroxyethyl)-1-methylquinolin-2-one?
8-(1,2-dihydroxyethyl)-1-methylquinolin-2-one has a molecular weight of 219.24 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2-dihydroxyethyl)-1-methylquinolin-2-one is sourced from PubChem (CID 131739844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).