2-pentylquinolizin-4-one

C14H17NO — CID 71665548

IUPAC2-pentylquinolizin-4-one
SMILESCCCCCc1cc(=O)n2ccccc2c1
InChIInChI=1S/C14H17NO/c1-2-3-4-7-12-10-13-8-5-6-9-15(13)14(16)11-12/h5-6,8-11H,2-4,7H2,1H3
InChIKeyXIYUNUOALJKQFZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.03
Rot. Bonds4

About 2-pentylquinolizin-4-one

2-pentylquinolizin-4-one (PubChem CID 71665548) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-pentylquinolizin-4-one.

Molecular Properties

Compound Name2-pentylquinolizin-4-one
PubChem CID71665548
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-pentylquinolizin-4-one
SMILESCCCCCc1cc(=O)n2ccccc2c1
InChIInChI=1S/C14H17NO/c1-2-3-4-7-12-10-13-8-5-6-9-15(13)14(16)11-12/h5-6,8-11H,2-4,7H2,1H3
InChIKeyXIYUNUOALJKQFZ-UHFFFAOYSA-N
XLogP3.03
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.03
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 2-pentylquinolizin-4-one?
The IUPAC name of 2-pentylquinolizin-4-one (CID 71665548) is 2-pentylquinolizin-4-one.
What is the SMILES notation for 2-pentylquinolizin-4-one?
The canonical SMILES for 2-pentylquinolizin-4-one is CCCCCc1cc(=O)n2ccccc2c1.
What is the InChIKey of 2-pentylquinolizin-4-one?
The InChIKey is XIYUNUOALJKQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-3-4-7-12-10-13-8-5-6-9-15(13)14(16)11-12/h5-6,8-11H,2-4,7H2,1H3.
What are the key properties of 2-pentylquinolizin-4-one?
2-pentylquinolizin-4-one has a molecular weight of 215.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylquinolizin-4-one is sourced from PubChem (CID 71665548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).