Skip to content

6-[(1-propylpiperidin-4-yl)methoxy]-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline

C22H31N3O — CID 10291662

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[(1-propylpiperidin-4-yl)methoxy]-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline
SMILESCCCN1CCC(COc2nc3ccccc3c3c2CCCCN3)CC1
InChIInChI=1S/C22H31N3O/c1-2-13-25-14-10-17(11-15-25)16-26-22-19-8-5-6-12-23-21(19)18-7-3-4-9-20(18)24-22/h3-4,7,9,17,23H,2,5-6,8,10-16H2,1H3
InChIKeyLAPHUQGTVFSIGC-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.48
Rot. Bonds5

About 6-[(1-propylpiperidin-4-yl)methoxy]-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline

6-[(1-propylpiperidin-4-yl)methoxy]-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline (PubChem CID 10291662) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 6-[(1-propylpiperidin-4-yl)methoxy]-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline.

Molecular Properties

Compound Name6-[(1-propylpiperidin-4-yl)methoxy]-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline
PubChem CID10291662
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name6-[(1-propylpiperidin-4-yl)methoxy]-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline
SMILESCCCN1CCC(COc2nc3ccccc3c3c2CCCCN3)CC1
InChIInChI=1S/C22H31N3O/c1-2-13-25-14-10-17(11-15-25)16-26-22-19-8-5-6-12-23-21(19)18-7-3-4-9-20(18)24-22/h3-4,7,9,17,23H,2,5-6,8,10-16H2,1H3
InChIKeyLAPHUQGTVFSIGC-UHFFFAOYSA-N
XLogP4.48
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(1-propylpiperidin-4-yl)methoxy]-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline 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 6-[(1-propylpiperidin-4-yl)methoxy]-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline?
The IUPAC name of 6-[(1-propylpiperidin-4-yl)methoxy]-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline (CID 10291662) is 6-[(1-propylpiperidin-4-yl)methoxy]-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline.
What is the SMILES notation for 6-[(1-propylpiperidin-4-yl)methoxy]-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline?
The canonical SMILES for 6-[(1-propylpiperidin-4-yl)methoxy]-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline is CCCN1CCC(COc2nc3ccccc3c3c2CCCCN3)CC1.
What is the InChIKey of 6-[(1-propylpiperidin-4-yl)methoxy]-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline?
The InChIKey is LAPHUQGTVFSIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-2-13-25-14-10-17(11-15-25)16-26-22-19-8-5-6-12-23-21(19)18-7-3-4-9-20(18)24-22/h3-4,7,9,17,23H,2,5-6,8,10-16H2,1H3.
What are the key properties of 6-[(1-propylpiperidin-4-yl)methoxy]-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline?
6-[(1-propylpiperidin-4-yl)methoxy]-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline has a molecular weight of 353.51 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-propylpiperidin-4-yl)methoxy]-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline is sourced from PubChem (CID 10291662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.