7-fluoro-5-[[1-[3-(4-iodophenyl)propyl]piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine

C27H27FIN3O — CID 71459269

IUPAC7-fluoro-5-[[1-[3-(4-iodophenyl)propyl]piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine
SMILESFc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc12
InChIInChI=1S/C27H27FIN3O/c28-24-7-1-5-22-25-23(6-2-14-30-25)27(31-26(22)24)33-18-20-12-16-32(17-13-20)15-3-4-19-8-10-21(29)11-9-19/h1-2,5-11,14,20H,3-4,12-13,15-18H2
InChIKeyGDRLBCZDGQFDCZ-UHFFFAOYSA-N
MW555.44 g/mol
LogP6.25
Rot. Bonds7

About 7-fluoro-5-[[1-[3-(4-iodophenyl)propyl]piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine

7-fluoro-5-[[1-[3-(4-iodophenyl)propyl]piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine (PubChem CID 71459269) has the molecular formula C27H27FIN3O and a molecular weight of 555.44 g/mol. Its IUPAC name is 7-fluoro-5-[[1-[3-(4-iodophenyl)propyl]piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine.

Molecular Properties

Compound Name7-fluoro-5-[[1-[3-(4-iodophenyl)propyl]piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine
PubChem CID71459269
Molecular FormulaC27H27FIN3O
Molecular Weight555.44 g/mol
Exact Mass555.12
IUPAC Name7-fluoro-5-[[1-[3-(4-iodophenyl)propyl]piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine
SMILESFc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc12
InChIInChI=1S/C27H27FIN3O/c28-24-7-1-5-22-25-23(6-2-14-30-25)27(31-26(22)24)33-18-20-12-16-32(17-13-20)15-3-4-19-8-10-21(29)11-9-19/h1-2,5-11,14,20H,3-4,12-13,15-18H2
InChIKeyGDRLBCZDGQFDCZ-UHFFFAOYSA-N
XLogP6.25
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.44
LogP ≤ 56.25
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'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-[[1-[3-(4-iodophenyl)propyl]piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine?
The IUPAC name of 7-fluoro-5-[[1-[3-(4-iodophenyl)propyl]piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine (CID 71459269) is 7-fluoro-5-[[1-[3-(4-iodophenyl)propyl]piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine.
What is the SMILES notation for 7-fluoro-5-[[1-[3-(4-iodophenyl)propyl]piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine?
The canonical SMILES for 7-fluoro-5-[[1-[3-(4-iodophenyl)propyl]piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine is Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc12.
What is the InChIKey of 7-fluoro-5-[[1-[3-(4-iodophenyl)propyl]piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine?
The InChIKey is GDRLBCZDGQFDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FIN3O/c28-24-7-1-5-22-25-23(6-2-14-30-25)27(31-26(22)24)33-18-20-12-16-32(17-13-20)15-3-4-19-8-10-21(29)11-9-19/h1-2,5-11,14,20H,3-4,12-13,15-18H2.
What are the key properties of 7-fluoro-5-[[1-[3-(4-iodophenyl)propyl]piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine?
7-fluoro-5-[[1-[3-(4-iodophenyl)propyl]piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine has a molecular weight of 555.44 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[[1-[3-(4-iodophenyl)propyl]piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine is sourced from PubChem (CID 71459269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).