8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,6-naphthyridine

C19H20N4O — CID 91953450

IUPAC8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,6-naphthyridine
SMILESCOc1ccc(N2CCN(c3cncc4cccnc34)CC2)cc1
InChIInChI=1S/C19H20N4O/c1-24-17-6-4-16(5-7-17)22-9-11-23(12-10-22)18-14-20-13-15-3-2-8-21-19(15)18/h2-8,13-14H,9-12H2,1H3
InChIKeyYBWSOOAPKBTRDK-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.96
Rot. Bonds3

About 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,6-naphthyridine

8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,6-naphthyridine (PubChem CID 91953450) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,6-naphthyridine.

Molecular Properties

Compound Name8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,6-naphthyridine
PubChem CID91953450
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,6-naphthyridine
SMILESCOc1ccc(N2CCN(c3cncc4cccnc34)CC2)cc1
InChIInChI=1S/C19H20N4O/c1-24-17-6-4-16(5-7-17)22-9-11-23(12-10-22)18-14-20-13-15-3-2-8-21-19(15)18/h2-8,13-14H,9-12H2,1H3
InChIKeyYBWSOOAPKBTRDK-UHFFFAOYSA-N
XLogP2.96
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,6-naphthyridine?
The IUPAC name of 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,6-naphthyridine (CID 91953450) is 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,6-naphthyridine.
What is the SMILES notation for 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,6-naphthyridine?
The canonical SMILES for 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,6-naphthyridine is COc1ccc(N2CCN(c3cncc4cccnc34)CC2)cc1.
What is the InChIKey of 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,6-naphthyridine?
The InChIKey is YBWSOOAPKBTRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-24-17-6-4-16(5-7-17)22-9-11-23(12-10-22)18-14-20-13-15-3-2-8-21-19(15)18/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,6-naphthyridine?
8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,6-naphthyridine has a molecular weight of 320.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,6-naphthyridine is sourced from PubChem (CID 91953450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).