1-methyl-2-propylquinolin-4-one

C13H15NO — CID 10856530

IUPAC1-methyl-2-propylquinolin-4-one
SMILESCCCc1cc(=O)c2ccccc2n1C
InChIInChI=1S/C13H15NO/c1-3-6-10-9-13(15)11-7-4-5-8-12(11)14(10)2/h4-5,7-9H,3,6H2,1-2H3
InChIKeyHHCLDHNLTJDYEN-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.49
Rot. Bonds2

About 1-methyl-2-propylquinolin-4-one

1-methyl-2-propylquinolin-4-one (PubChem CID 10856530) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-methyl-2-propylquinolin-4-one.

Molecular Properties

Compound Name1-methyl-2-propylquinolin-4-one
PubChem CID10856530
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-methyl-2-propylquinolin-4-one
SMILESCCCc1cc(=O)c2ccccc2n1C
InChIInChI=1S/C13H15NO/c1-3-6-10-9-13(15)11-7-4-5-8-12(11)14(10)2/h4-5,7-9H,3,6H2,1-2H3
InChIKeyHHCLDHNLTJDYEN-UHFFFAOYSA-N
XLogP2.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propylquinolin-4-one?
The IUPAC name of 1-methyl-2-propylquinolin-4-one (CID 10856530) is 1-methyl-2-propylquinolin-4-one.
What is the SMILES notation for 1-methyl-2-propylquinolin-4-one?
The canonical SMILES for 1-methyl-2-propylquinolin-4-one is CCCc1cc(=O)c2ccccc2n1C.
What is the InChIKey of 1-methyl-2-propylquinolin-4-one?
The InChIKey is HHCLDHNLTJDYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-6-10-9-13(15)11-7-4-5-8-12(11)14(10)2/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 1-methyl-2-propylquinolin-4-one?
1-methyl-2-propylquinolin-4-one has a molecular weight of 201.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propylquinolin-4-one is sourced from PubChem (CID 10856530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).