6-(3-phenoxypropyl)-7,8-dihydro-5H-1,6-naphthyridine

C17H20N2O — CID 3058704

IUPAC6-(3-phenoxypropyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESc1ccc(OCCCN2CCc3ncccc3C2)cc1
InChIInChI=1S/C17H20N2O/c1-2-7-16(8-3-1)20-13-5-11-19-12-9-17-15(14-19)6-4-10-18-17/h1-4,6-8,10H,5,9,11-14H2
InChIKeyGVHURPYMTIYADW-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.91
Rot. Bonds5

About 6-(3-phenoxypropyl)-7,8-dihydro-5H-1,6-naphthyridine

6-(3-phenoxypropyl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 3058704) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-(3-phenoxypropyl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-(3-phenoxypropyl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID3058704
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name6-(3-phenoxypropyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESc1ccc(OCCCN2CCc3ncccc3C2)cc1
InChIInChI=1S/C17H20N2O/c1-2-7-16(8-3-1)20-13-5-11-19-12-9-17-15(14-19)6-4-10-18-17/h1-4,6-8,10H,5,9,11-14H2
InChIKeyGVHURPYMTIYADW-UHFFFAOYSA-N
XLogP2.91
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-phenoxypropyl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-(3-phenoxypropyl)-7,8-dihydro-5H-1,6-naphthyridine (CID 3058704) is 6-(3-phenoxypropyl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-(3-phenoxypropyl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-(3-phenoxypropyl)-7,8-dihydro-5H-1,6-naphthyridine is c1ccc(OCCCN2CCc3ncccc3C2)cc1.
What is the InChIKey of 6-(3-phenoxypropyl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is GVHURPYMTIYADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-7-16(8-3-1)20-13-5-11-19-12-9-17-15(14-19)6-4-10-18-17/h1-4,6-8,10H,5,9,11-14H2.
What are the key properties of 6-(3-phenoxypropyl)-7,8-dihydro-5H-1,6-naphthyridine?
6-(3-phenoxypropyl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 268.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenoxypropyl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 3058704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).