4-methoxy-2-pentylquinoline

C15H19NO — CID 3009247

IUPAC4-methoxy-2-pentylquinoline
SMILESCCCCCc1cc(OC)c2ccccc2n1
InChIInChI=1S/C15H19NO/c1-3-4-5-8-12-11-15(17-2)13-9-6-7-10-14(13)16-12/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyGBEBHUXJNVPKMN-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.98
Rot. Bonds5

About 4-methoxy-2-pentylquinoline

4-methoxy-2-pentylquinoline (PubChem CID 3009247) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-methoxy-2-pentylquinoline.

Molecular Properties

Compound Name4-methoxy-2-pentylquinoline
PubChem CID3009247
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-methoxy-2-pentylquinoline
SMILESCCCCCc1cc(OC)c2ccccc2n1
InChIInChI=1S/C15H19NO/c1-3-4-5-8-12-11-15(17-2)13-9-6-7-10-14(13)16-12/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyGBEBHUXJNVPKMN-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'}

Analyze 4-methoxy-2-pentylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-pentylquinoline?
The IUPAC name of 4-methoxy-2-pentylquinoline (CID 3009247) is 4-methoxy-2-pentylquinoline.
What is the SMILES notation for 4-methoxy-2-pentylquinoline?
The canonical SMILES for 4-methoxy-2-pentylquinoline is CCCCCc1cc(OC)c2ccccc2n1.
What is the InChIKey of 4-methoxy-2-pentylquinoline?
The InChIKey is GBEBHUXJNVPKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-4-5-8-12-11-15(17-2)13-9-6-7-10-14(13)16-12/h6-7,9-11H,3-5,8H2,1-2H3.
What are the key properties of 4-methoxy-2-pentylquinoline?
4-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 4-methoxy-2-pentylquinoline is sourced from PubChem (CID 3009247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).