4-[(cyclohexylamino)methyl]-1H-quinolin-2-one

C16H20N2O — CID 651213

IUPAC4-[(cyclohexylamino)methyl]-1H-quinolin-2-one
SMILESO=c1cc(CNC2CCCCC2)c2ccccc2[nH]1
InChIInChI=1S/C16H20N2O/c19-16-10-12(11-17-13-6-2-1-3-7-13)14-8-4-5-9-15(14)18-16/h4-5,8-10,13,17H,1-3,6-7,11H2,(H,18,19)
InChIKeyYOLQBYKKRJNSRB-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.95
Rot. Bonds3

About 4-[(cyclohexylamino)methyl]-1H-quinolin-2-one

4-[(cyclohexylamino)methyl]-1H-quinolin-2-one (PubChem CID 651213) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[(cyclohexylamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(cyclohexylamino)methyl]-1H-quinolin-2-one
PubChem CID651213
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-[(cyclohexylamino)methyl]-1H-quinolin-2-one
SMILESO=c1cc(CNC2CCCCC2)c2ccccc2[nH]1
InChIInChI=1S/C16H20N2O/c19-16-10-12(11-17-13-6-2-1-3-7-13)14-8-4-5-9-15(14)18-16/h4-5,8-10,13,17H,1-3,6-7,11H2,(H,18,19)
InChIKeyYOLQBYKKRJNSRB-UHFFFAOYSA-N
XLogP2.95
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(cyclohexylamino)methyl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclohexylamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 4-[(cyclohexylamino)methyl]-1H-quinolin-2-one (CID 651213) is 4-[(cyclohexylamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[(cyclohexylamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[(cyclohexylamino)methyl]-1H-quinolin-2-one is O=c1cc(CNC2CCCCC2)c2ccccc2[nH]1.
What is the InChIKey of 4-[(cyclohexylamino)methyl]-1H-quinolin-2-one?
The InChIKey is YOLQBYKKRJNSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16-10-12(11-17-13-6-2-1-3-7-13)14-8-4-5-9-15(14)18-16/h4-5,8-10,13,17H,1-3,6-7,11H2,(H,18,19).
What are the key properties of 4-[(cyclohexylamino)methyl]-1H-quinolin-2-one?
4-[(cyclohexylamino)methyl]-1H-quinolin-2-one has a molecular weight of 256.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclohexylamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 651213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).