6-butyl-2-(methoxymethyl)-1H-quinolin-4-one

C15H19NO2 — CID 55062157

IUPAC6-butyl-2-(methoxymethyl)-1H-quinolin-4-one
SMILESCCCCc1ccc2[nH]c(COC)cc(=O)c2c1
InChIInChI=1S/C15H19NO2/c1-3-4-5-11-6-7-14-13(8-11)15(17)9-12(16-14)10-18-2/h6-9H,3-5,10H2,1-2H3,(H,16,17)
InChIKeyDFENNIVBJNMMPG-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.02
Rot. Bonds5

About 6-butyl-2-(methoxymethyl)-1H-quinolin-4-one

6-butyl-2-(methoxymethyl)-1H-quinolin-4-one (PubChem CID 55062157) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 6-butyl-2-(methoxymethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-butyl-2-(methoxymethyl)-1H-quinolin-4-one
PubChem CID55062157
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name6-butyl-2-(methoxymethyl)-1H-quinolin-4-one
SMILESCCCCc1ccc2[nH]c(COC)cc(=O)c2c1
InChIInChI=1S/C15H19NO2/c1-3-4-5-11-6-7-14-13(8-11)15(17)9-12(16-14)10-18-2/h6-9H,3-5,10H2,1-2H3,(H,16,17)
InChIKeyDFENNIVBJNMMPG-UHFFFAOYSA-N
XLogP3.02
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-(methoxymethyl)-1H-quinolin-4-one?
The IUPAC name of 6-butyl-2-(methoxymethyl)-1H-quinolin-4-one (CID 55062157) is 6-butyl-2-(methoxymethyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-butyl-2-(methoxymethyl)-1H-quinolin-4-one?
The canonical SMILES for 6-butyl-2-(methoxymethyl)-1H-quinolin-4-one is CCCCc1ccc2[nH]c(COC)cc(=O)c2c1.
What is the InChIKey of 6-butyl-2-(methoxymethyl)-1H-quinolin-4-one?
The InChIKey is DFENNIVBJNMMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-4-5-11-6-7-14-13(8-11)15(17)9-12(16-14)10-18-2/h6-9H,3-5,10H2,1-2H3,(H,16,17).
What are the key properties of 6-butyl-2-(methoxymethyl)-1H-quinolin-4-one?
6-butyl-2-(methoxymethyl)-1H-quinolin-4-one has a molecular weight of 245.32 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-(methoxymethyl)-1H-quinolin-4-one is sourced from PubChem (CID 55062157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).