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

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Related Compounds

SB 714786
CID 10287730
7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
5-(Piperidin-4-ylmethoxy)-9-propyl-1,2,3,4-tetrahydro-benzo[h][1,6]naphthyridine
CID 9881053
2-Methyl-5-(2-{4-[3-pyridin-4-ylbenzyl]piperidin-1-yl}ethoxy)quinoline
CID 10288132
3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-quinoline
CID 44372369
US10155760, Example 204
CID 118429935
N-(4-(3-(piperidin-1-yl)propoxy)phenyl)quinolin-4-amine
CID 10067161
{3-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-propyl}-quinolin-4-yl-amine; Oxalic acid
CID 10949464
{2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-ethyl}-quinolin-4-yl-amine; Oxalic acid
CID 11003651
7-Fluoro-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine
CID 71455625
7-Fluoro-5-[[1-[3-(4-iodophenyl)propyl]piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine
CID 71459269
7-Fluoro-5-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine
CID 72698087

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).