3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one

C14H15NO3 — CID 116985128

IUPAC3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one
SMILESCn1c(=O)c(C2(CO)COC2)cc2ccccc21
InChIInChI=1S/C14H15NO3/c1-15-12-5-3-2-4-10(12)6-11(13(15)17)14(7-16)8-18-9-14/h2-6,16H,7-9H2,1H3
InChIKeyYPMGPILPMBUWFA-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.80
Rot. Bonds2

About 3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one

3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one (PubChem CID 116985128) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one
PubChem CID116985128
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one
SMILESCn1c(=O)c(C2(CO)COC2)cc2ccccc21
InChIInChI=1S/C14H15NO3/c1-15-12-5-3-2-4-10(12)6-11(13(15)17)14(7-16)8-18-9-14/h2-6,16H,7-9H2,1H3
InChIKeyYPMGPILPMBUWFA-UHFFFAOYSA-N
XLogP0.80
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(hydroxymethyl)cyclopropyl]-1-methylquinolin-2-one
CID 116985117
3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one
CID 16641429
3-iodo-1-methylquinolin-2-one
CID 15733001
3-amino-1-methylquinolin-2-one
CID 19417653
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one
CID 91765227
3-(4-hydroxycyclohexyl)-1-methylquinolin-2-one
CID 116985108
3-(1-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one
CID 116985134
1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-one
CID 151019883
2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid
CID 110834916
3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 59736944
3-(benzenesulfonylmethyl)-1-methylquinolin-2-one
CID 18801719
2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid
CID 95716426

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one?
The IUPAC name of 3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one (CID 116985128) is 3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one.
What is the SMILES notation for 3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one?
The canonical SMILES for 3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one is Cn1c(=O)c(C2(CO)COC2)cc2ccccc21.
What is the InChIKey of 3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one?
The InChIKey is YPMGPILPMBUWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-15-12-5-3-2-4-10(12)6-11(13(15)17)14(7-16)8-18-9-14/h2-6,16H,7-9H2,1H3.
What are the key properties of 3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one?
3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one has a molecular weight of 245.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one is sourced from PubChem (CID 116985128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).