3-(4-hydroxycyclohexyl)-1-methylquinolin-2-one

C16H19NO2 — CID 116985108

IUPAC3-(4-hydroxycyclohexyl)-1-methylquinolin-2-one
SMILESCn1c(=O)c(C2CCC(O)CC2)cc2ccccc21
InChIInChI=1S/C16H19NO2/c1-17-15-5-3-2-4-12(15)10-14(16(17)19)11-6-8-13(18)9-7-11/h2-5,10-11,13,18H,6-9H2,1H3
InChIKeyRAVMFGNPBBZDOT-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.56
Rot. Bonds1

About 3-(4-hydroxycyclohexyl)-1-methylquinolin-2-one

3-(4-hydroxycyclohexyl)-1-methylquinolin-2-one (PubChem CID 116985108) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(4-hydroxycyclohexyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(4-hydroxycyclohexyl)-1-methylquinolin-2-one
PubChem CID116985108
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-(4-hydroxycyclohexyl)-1-methylquinolin-2-one
SMILESCn1c(=O)c(C2CCC(O)CC2)cc2ccccc21
InChIInChI=1S/C16H19NO2/c1-17-15-5-3-2-4-12(15)10-14(16(17)19)11-6-8-13(18)9-7-11/h2-5,10-11,13,18H,6-9H2,1H3
InChIKeyRAVMFGNPBBZDOT-UHFFFAOYSA-N
XLogP2.56
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclooctyl-1-methylquinolin-2-one
CID 166438845
1-methyl-3-(4-oxocyclohexyl)quinolin-2-one
CID 116985109
1-ethyl-3-(4-oxocyclohexyl)quinolin-2-one
CID 116985579
1-methyl-3-(4-oxo-2,3-dihydropyran-2-yl)quinolin-2-one
CID 11780088
3-amino-1-methylquinolin-2-one
CID 19417653
3-iodo-1-methylquinolin-2-one
CID 15733001
3-[1-(hydroxymethyl)cyclopropyl]-1-methylquinolin-2-one
CID 116985117
3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one
CID 116985128
(3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 165422453
methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 113087974
3-[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-1-methylquinolin-2-one
CID 170512727
4-hydroxy-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 67394253

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxycyclohexyl)-1-methylquinolin-2-one?
The IUPAC name of 3-(4-hydroxycyclohexyl)-1-methylquinolin-2-one (CID 116985108) is 3-(4-hydroxycyclohexyl)-1-methylquinolin-2-one.
What is the SMILES notation for 3-(4-hydroxycyclohexyl)-1-methylquinolin-2-one?
The canonical SMILES for 3-(4-hydroxycyclohexyl)-1-methylquinolin-2-one is Cn1c(=O)c(C2CCC(O)CC2)cc2ccccc21.
What is the InChIKey of 3-(4-hydroxycyclohexyl)-1-methylquinolin-2-one?
The InChIKey is RAVMFGNPBBZDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17-15-5-3-2-4-12(15)10-14(16(17)19)11-6-8-13(18)9-7-11/h2-5,10-11,13,18H,6-9H2,1H3.
What are the key properties of 3-(4-hydroxycyclohexyl)-1-methylquinolin-2-one?
3-(4-hydroxycyclohexyl)-1-methylquinolin-2-one has a molecular weight of 257.33 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxycyclohexyl)-1-methylquinolin-2-one is sourced from PubChem (CID 116985108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).