1-(4-methylquinolin-2-yl)pent-4-en-1-one

C15H15NO — CID 114754704

IUPAC1-(4-methylquinolin-2-yl)pent-4-en-1-one
SMILESC=CCCC(=O)c1cc(C)c2ccccc2n1
InChIInChI=1S/C15H15NO/c1-3-4-9-15(17)14-10-11(2)12-7-5-6-8-13(12)16-14/h3,5-8,10H,1,4,9H2,2H3
InChIKeyQTNGCJVJIBHBKC-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.69
Rot. Bonds4

About 1-(4-methylquinolin-2-yl)pent-4-en-1-one

1-(4-methylquinolin-2-yl)pent-4-en-1-one (PubChem CID 114754704) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(4-methylquinolin-2-yl)pent-4-en-1-one.

Molecular Properties

Compound Name1-(4-methylquinolin-2-yl)pent-4-en-1-one
PubChem CID114754704
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-(4-methylquinolin-2-yl)pent-4-en-1-one
SMILESC=CCCC(=O)c1cc(C)c2ccccc2n1
InChIInChI=1S/C15H15NO/c1-3-4-9-15(17)14-10-11(2)12-7-5-6-8-13(12)16-14/h3,5-8,10H,1,4,9H2,2H3
InChIKeyQTNGCJVJIBHBKC-UHFFFAOYSA-N
XLogP3.69
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylquinolin-2-yl)pent-4-en-1-one?
The IUPAC name of 1-(4-methylquinolin-2-yl)pent-4-en-1-one (CID 114754704) is 1-(4-methylquinolin-2-yl)pent-4-en-1-one.
What is the SMILES notation for 1-(4-methylquinolin-2-yl)pent-4-en-1-one?
The canonical SMILES for 1-(4-methylquinolin-2-yl)pent-4-en-1-one is C=CCCC(=O)c1cc(C)c2ccccc2n1.
What is the InChIKey of 1-(4-methylquinolin-2-yl)pent-4-en-1-one?
The InChIKey is QTNGCJVJIBHBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-3-4-9-15(17)14-10-11(2)12-7-5-6-8-13(12)16-14/h3,5-8,10H,1,4,9H2,2H3.
What are the key properties of 1-(4-methylquinolin-2-yl)pent-4-en-1-one?
1-(4-methylquinolin-2-yl)pent-4-en-1-one has a molecular weight of 225.29 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylquinolin-2-yl)pent-4-en-1-one is sourced from PubChem (CID 114754704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).