4-[[2-(hydroxymethyl)cyclohexyl]amino]-1-methylquinolin-2-one

C17H22N2O2 — CID 106362280

IUPAC4-[[2-(hydroxymethyl)cyclohexyl]amino]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NC2CCCCC2CO)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-19-16-9-5-3-7-13(16)15(10-17(19)21)18-14-8-4-2-6-12(14)11-20/h3,5,7,9-10,12,14,18,20H,2,4,6,8,11H2,1H3
InChIKeyRSXDXCWGBQFFAH-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.50
Rot. Bonds3

About 4-[[2-(hydroxymethyl)cyclohexyl]amino]-1-methylquinolin-2-one

4-[[2-(hydroxymethyl)cyclohexyl]amino]-1-methylquinolin-2-one (PubChem CID 106362280) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)cyclohexyl]amino]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)cyclohexyl]amino]-1-methylquinolin-2-one
PubChem CID106362280
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-[[2-(hydroxymethyl)cyclohexyl]amino]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NC2CCCCC2CO)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-19-16-9-5-3-7-13(16)15(10-17(19)21)18-14-8-4-2-6-12(14)11-20/h3,5,7,9-10,12,14,18,20H,2,4,6,8,11H2,1H3
InChIKeyRSXDXCWGBQFFAH-UHFFFAOYSA-N
XLogP2.50
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)cyclohexyl]amino]-1-methylquinolin-2-one?
The IUPAC name of 4-[[2-(hydroxymethyl)cyclohexyl]amino]-1-methylquinolin-2-one (CID 106362280) is 4-[[2-(hydroxymethyl)cyclohexyl]amino]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[[2-(hydroxymethyl)cyclohexyl]amino]-1-methylquinolin-2-one?
The canonical SMILES for 4-[[2-(hydroxymethyl)cyclohexyl]amino]-1-methylquinolin-2-one is Cn1c(=O)cc(NC2CCCCC2CO)c2ccccc21.
What is the InChIKey of 4-[[2-(hydroxymethyl)cyclohexyl]amino]-1-methylquinolin-2-one?
The InChIKey is RSXDXCWGBQFFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19-16-9-5-3-7-13(16)15(10-17(19)21)18-14-8-4-2-6-12(14)11-20/h3,5,7,9-10,12,14,18,20H,2,4,6,8,11H2,1H3.
What are the key properties of 4-[[2-(hydroxymethyl)cyclohexyl]amino]-1-methylquinolin-2-one?
4-[[2-(hydroxymethyl)cyclohexyl]amino]-1-methylquinolin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)cyclohexyl]amino]-1-methylquinolin-2-one is sourced from PubChem (CID 106362280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).