8-butoxy-5-pyrazin-2-ylquinoline

C17H17N3O — CID 164668083

IUPAC8-butoxy-5-pyrazin-2-ylquinoline
SMILESCCCCOc1ccc(-c2cnccn2)c2cccnc12
InChIInChI=1S/C17H17N3O/c1-2-3-11-21-16-7-6-13(15-12-18-9-10-19-15)14-5-4-8-20-17(14)16/h4-10,12H,2-3,11H2,1H3
InChIKeyHZXLQJSFRKTHNY-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.87
Rot. Bonds5

About 8-butoxy-5-pyrazin-2-ylquinoline

8-butoxy-5-pyrazin-2-ylquinoline (PubChem CID 164668083) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 8-butoxy-5-pyrazin-2-ylquinoline.

Molecular Properties

Compound Name8-butoxy-5-pyrazin-2-ylquinoline
PubChem CID164668083
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name8-butoxy-5-pyrazin-2-ylquinoline
SMILESCCCCOc1ccc(-c2cnccn2)c2cccnc12
InChIInChI=1S/C17H17N3O/c1-2-3-11-21-16-7-6-13(15-12-18-9-10-19-15)14-5-4-8-20-17(14)16/h4-10,12H,2-3,11H2,1H3
InChIKeyHZXLQJSFRKTHNY-UHFFFAOYSA-N
XLogP3.87
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 8-butoxy-5-pyrazin-2-ylquinoline?
The IUPAC name of 8-butoxy-5-pyrazin-2-ylquinoline (CID 164668083) is 8-butoxy-5-pyrazin-2-ylquinoline.
What is the SMILES notation for 8-butoxy-5-pyrazin-2-ylquinoline?
The canonical SMILES for 8-butoxy-5-pyrazin-2-ylquinoline is CCCCOc1ccc(-c2cnccn2)c2cccnc12.
What is the InChIKey of 8-butoxy-5-pyrazin-2-ylquinoline?
The InChIKey is HZXLQJSFRKTHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-3-11-21-16-7-6-13(15-12-18-9-10-19-15)14-5-4-8-20-17(14)16/h4-10,12H,2-3,11H2,1H3.
What are the key properties of 8-butoxy-5-pyrazin-2-ylquinoline?
8-butoxy-5-pyrazin-2-ylquinoline has a molecular weight of 279.34 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butoxy-5-pyrazin-2-ylquinoline is sourced from PubChem (CID 164668083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).