3-methoxy-2-pentylquinoline

C15H19NO — CID 140998088

IUPAC3-methoxy-2-pentylquinoline
SMILESCCCCCc1nc2ccccc2cc1OC
InChIInChI=1S/C15H19NO/c1-3-4-5-10-14-15(17-2)11-12-8-6-7-9-13(12)16-14/h6-9,11H,3-5,10H2,1-2H3
InChIKeyFCPDDEUTUGCTNS-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.98
Rot. Bonds5

About 3-methoxy-2-pentylquinoline

3-methoxy-2-pentylquinoline (PubChem CID 140998088) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-methoxy-2-pentylquinoline.

Molecular Properties

Compound Name3-methoxy-2-pentylquinoline
PubChem CID140998088
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-methoxy-2-pentylquinoline
SMILESCCCCCc1nc2ccccc2cc1OC
InChIInChI=1S/C15H19NO/c1-3-4-5-10-14-15(17-2)11-12-8-6-7-9-13(12)16-14/h6-9,11H,3-5,10H2,1-2H3
InChIKeyFCPDDEUTUGCTNS-UHFFFAOYSA-N
XLogP3.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-methoxy-2-pentylquinoline?
The IUPAC name of 3-methoxy-2-pentylquinoline (CID 140998088) is 3-methoxy-2-pentylquinoline.
What is the SMILES notation for 3-methoxy-2-pentylquinoline?
The canonical SMILES for 3-methoxy-2-pentylquinoline is CCCCCc1nc2ccccc2cc1OC.
What is the InChIKey of 3-methoxy-2-pentylquinoline?
The InChIKey is FCPDDEUTUGCTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-4-5-10-14-15(17-2)11-12-8-6-7-9-13(12)16-14/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of 3-methoxy-2-pentylquinoline?
3-methoxy-2-pentylquinoline has a molecular weight of 229.32 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-pentylquinoline is sourced from PubChem (CID 140998088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).