7-iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine

C21H24IN3O — CID 71457409

IUPAC7-iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine
SMILESCCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1
InChIInChI=1S/C21H24IN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3
InChIKeyBIAZRDQNRJRCRQ-UHFFFAOYSA-N
MW461.35 g/mol
LogP4.89
Rot. Bonds5

About 7-iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine

7-iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine (PubChem CID 71457409) has the molecular formula C21H24IN3O and a molecular weight of 461.35 g/mol. Its IUPAC name is 7-iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine.

Molecular Properties

Compound Name7-iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine
PubChem CID71457409
Molecular FormulaC21H24IN3O
Molecular Weight461.35 g/mol
Exact Mass461.10
IUPAC Name7-iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine
SMILESCCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1
InChIInChI=1S/C21H24IN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3
InChIKeyBIAZRDQNRJRCRQ-UHFFFAOYSA-N
XLogP4.89
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.35
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine 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 7-iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine?
The IUPAC name of 7-iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine (CID 71457409) is 7-iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine.
What is the SMILES notation for 7-iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine?
The canonical SMILES for 7-iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine is CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1.
What is the InChIKey of 7-iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine?
The InChIKey is BIAZRDQNRJRCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24IN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3.
What are the key properties of 7-iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine?
7-iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine has a molecular weight of 461.35 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine is sourced from PubChem (CID 71457409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).