3-[1-(hydroxymethyl)cyclopropyl]-1-methylquinolin-2-one

C14H15NO2 — CID 116985117

IUPAC3-[1-(hydroxymethyl)cyclopropyl]-1-methylquinolin-2-one
SMILESCn1c(=O)c(C2(CO)CC2)cc2ccccc21
InChIInChI=1S/C14H15NO2/c1-15-12-5-3-2-4-10(12)8-11(13(15)17)14(9-16)6-7-14/h2-5,8,16H,6-7,9H2,1H3
InChIKeyYTWQHDBMGQNGDS-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.56
Rot. Bonds2

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

3-[1-(hydroxymethyl)cyclopropyl]-1-methylquinolin-2-one (PubChem CID 116985117) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[1-(hydroxymethyl)cyclopropyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[1-(hydroxymethyl)cyclopropyl]-1-methylquinolin-2-one
PubChem CID116985117
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-[1-(hydroxymethyl)cyclopropyl]-1-methylquinolin-2-one
SMILESCn1c(=O)c(C2(CO)CC2)cc2ccccc21
InChIInChI=1S/C14H15NO2/c1-15-12-5-3-2-4-10(12)8-11(13(15)17)14(9-16)6-7-14/h2-5,8,16H,6-7,9H2,1H3
InChIKeyYTWQHDBMGQNGDS-UHFFFAOYSA-N
XLogP1.56
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one
CID 116985128
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
3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 59736944
(3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 165422453
3-(benzenesulfonylmethyl)-1-methylquinolin-2-one
CID 18801719
(3R)-3-hydroxy-3-(1-methylindol-2-yl)propanoic acid
CID 96609351
3-(4-aminophenyl)-1-methylquinolin-2-one;ethane
CID 90778369

Frequently Asked Questions

What is the IUPAC name of 3-[1-(hydroxymethyl)cyclopropyl]-1-methylquinolin-2-one?
The IUPAC name of 3-[1-(hydroxymethyl)cyclopropyl]-1-methylquinolin-2-one (CID 116985117) is 3-[1-(hydroxymethyl)cyclopropyl]-1-methylquinolin-2-one.
What is the SMILES notation for 3-[1-(hydroxymethyl)cyclopropyl]-1-methylquinolin-2-one?
The canonical SMILES for 3-[1-(hydroxymethyl)cyclopropyl]-1-methylquinolin-2-one is Cn1c(=O)c(C2(CO)CC2)cc2ccccc21.
What is the InChIKey of 3-[1-(hydroxymethyl)cyclopropyl]-1-methylquinolin-2-one?
The InChIKey is YTWQHDBMGQNGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-15-12-5-3-2-4-10(12)8-11(13(15)17)14(9-16)6-7-14/h2-5,8,16H,6-7,9H2,1H3.
What are the key properties of 3-[1-(hydroxymethyl)cyclopropyl]-1-methylquinolin-2-one?
3-[1-(hydroxymethyl)cyclopropyl]-1-methylquinolin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(hydroxymethyl)cyclopropyl]-1-methylquinolin-2-one is sourced from PubChem (CID 116985117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).