6-methyl-1-propylquinolin-2-one

C13H15NO — CID 122456070

IUPAC6-methyl-1-propylquinolin-2-one
SMILESCCCn1c(=O)ccc2cc(C)ccc21
InChIInChI=1S/C13H15NO/c1-3-8-14-12-6-4-10(2)9-11(12)5-7-13(14)15/h4-7,9H,3,8H2,1-2H3
InChIKeyJLLRDDLZCBYCFF-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.72
Rot. Bonds2

About 6-methyl-1-propylquinolin-2-one

6-methyl-1-propylquinolin-2-one (PubChem CID 122456070) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-methyl-1-propylquinolin-2-one.

Molecular Properties

Compound Name6-methyl-1-propylquinolin-2-one
PubChem CID122456070
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name6-methyl-1-propylquinolin-2-one
SMILESCCCn1c(=O)ccc2cc(C)ccc21
InChIInChI=1S/C13H15NO/c1-3-8-14-12-6-4-10(2)9-11(12)5-7-13(14)15/h4-7,9H,3,8H2,1-2H3
InChIKeyJLLRDDLZCBYCFF-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propylquinolin-2-one?
The IUPAC name of 6-methyl-1-propylquinolin-2-one (CID 122456070) is 6-methyl-1-propylquinolin-2-one.
What is the SMILES notation for 6-methyl-1-propylquinolin-2-one?
The canonical SMILES for 6-methyl-1-propylquinolin-2-one is CCCn1c(=O)ccc2cc(C)ccc21.
What is the InChIKey of 6-methyl-1-propylquinolin-2-one?
The InChIKey is JLLRDDLZCBYCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-8-14-12-6-4-10(2)9-11(12)5-7-13(14)15/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 6-methyl-1-propylquinolin-2-one?
6-methyl-1-propylquinolin-2-one has a molecular weight of 201.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propylquinolin-2-one is sourced from PubChem (CID 122456070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).