3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one

C18H24N2O — CID 18801770

IUPAC3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one
SMILESCCn1c(=O)c(CNC2CCCCC2)cc2ccccc21
InChIInChI=1S/C18H24N2O/c1-2-20-17-11-7-6-8-14(17)12-15(18(20)21)13-19-16-9-4-3-5-10-16/h6-8,11-12,16,19H,2-5,9-10,13H2,1H3
InChIKeyNJLRWWVETHWZCQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.44
Rot. Bonds4

About 3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one

3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one (PubChem CID 18801770) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one.

Molecular Properties

Compound Name3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one
PubChem CID18801770
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one
SMILESCCn1c(=O)c(CNC2CCCCC2)cc2ccccc21
InChIInChI=1S/C18H24N2O/c1-2-20-17-11-7-6-8-14(17)12-15(18(20)21)13-19-16-9-4-3-5-10-16/h6-8,11-12,16,19H,2-5,9-10,13H2,1H3
InChIKeyNJLRWWVETHWZCQ-UHFFFAOYSA-N
XLogP3.44
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one?
The IUPAC name of 3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one (CID 18801770) is 3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one.
What is the SMILES notation for 3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one?
The canonical SMILES for 3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one is CCn1c(=O)c(CNC2CCCCC2)cc2ccccc21.
What is the InChIKey of 3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one?
The InChIKey is NJLRWWVETHWZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-20-17-11-7-6-8-14(17)12-15(18(20)21)13-19-16-9-4-3-5-10-16/h6-8,11-12,16,19H,2-5,9-10,13H2,1H3.
What are the key properties of 3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one?
3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one has a molecular weight of 284.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one is sourced from PubChem (CID 18801770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).