3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one

C17H22N2O2 — CID 664711

IUPAC3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CNC3CCCCC3)cc2c1
InChIInChI=1S/C17H22N2O2/c1-21-15-7-8-16-12(10-15)9-13(17(20)19-16)11-18-14-5-3-2-4-6-14/h7-10,14,18H,2-6,11H2,1H3,(H,19,20)
InChIKeyUJKQAKZJBLUKSS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.96
Rot. Bonds4

About 3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one

3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one (PubChem CID 664711) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one
PubChem CID664711
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CNC3CCCCC3)cc2c1
InChIInChI=1S/C17H22N2O2/c1-21-15-7-8-16-12(10-15)9-13(17(20)19-16)11-18-14-5-3-2-4-6-14/h7-10,14,18H,2-6,11H2,1H3,(H,19,20)
InChIKeyUJKQAKZJBLUKSS-UHFFFAOYSA-N
XLogP2.96
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(cyclohexylamino)methyl]-6-methoxy-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 3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one (CID 664711) is 3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CNC3CCCCC3)cc2c1.
What is the InChIKey of 3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one?
The InChIKey is UJKQAKZJBLUKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-21-15-7-8-16-12(10-15)9-13(17(20)19-16)11-18-14-5-3-2-4-6-14/h7-10,14,18H,2-6,11H2,1H3,(H,19,20).
What are the key properties of 3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one?
3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 664711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).