methyl 4-pentylquinoline-2-carboxylate

C16H19NO2 — CID 174963802

IUPACmethyl 4-pentylquinoline-2-carboxylate
SMILESCCCCCc1cc(C(=O)OC)nc2ccccc12
InChIInChI=1S/C16H19NO2/c1-3-4-5-8-12-11-15(16(18)19-2)17-14-10-7-6-9-13(12)14/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyJANCXSVUUHZVKA-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.75
Rot. Bonds5

About methyl 4-pentylquinoline-2-carboxylate

methyl 4-pentylquinoline-2-carboxylate (PubChem CID 174963802) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 4-pentylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-pentylquinoline-2-carboxylate
PubChem CID174963802
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namemethyl 4-pentylquinoline-2-carboxylate
SMILESCCCCCc1cc(C(=O)OC)nc2ccccc12
InChIInChI=1S/C16H19NO2/c1-3-4-5-8-12-11-15(16(18)19-2)17-14-10-7-6-9-13(12)14/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyJANCXSVUUHZVKA-UHFFFAOYSA-N
XLogP3.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.75
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 methyl 4-pentylquinoline-2-carboxylate?
The IUPAC name of methyl 4-pentylquinoline-2-carboxylate (CID 174963802) is methyl 4-pentylquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-pentylquinoline-2-carboxylate?
The canonical SMILES for methyl 4-pentylquinoline-2-carboxylate is CCCCCc1cc(C(=O)OC)nc2ccccc12.
What is the InChIKey of methyl 4-pentylquinoline-2-carboxylate?
The InChIKey is JANCXSVUUHZVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-4-5-8-12-11-15(16(18)19-2)17-14-10-7-6-9-13(12)14/h6-7,9-11H,3-5,8H2,1-2H3.
What are the key properties of methyl 4-pentylquinoline-2-carboxylate?
methyl 4-pentylquinoline-2-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-pentylquinoline-2-carboxylate is sourced from PubChem (CID 174963802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).