6-butyl-1H-quinolin-4-one

C13H15NO — CID 43531999

IUPAC6-butyl-1H-quinolin-4-one
SMILESCCCCc1ccc2[nH]ccc(=O)c2c1
InChIInChI=1S/C13H15NO/c1-2-3-4-10-5-6-12-11(9-10)13(15)7-8-14-12/h5-9H,2-4H2,1H3,(H,14,15)
InChIKeyFRBJWXNSTZTLJM-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.87
Rot. Bonds3

About 6-butyl-1H-quinolin-4-one

6-butyl-1H-quinolin-4-one (PubChem CID 43531999) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-butyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-butyl-1H-quinolin-4-one
PubChem CID43531999
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name6-butyl-1H-quinolin-4-one
SMILESCCCCc1ccc2[nH]ccc(=O)c2c1
InChIInChI=1S/C13H15NO/c1-2-3-4-10-5-6-12-11(9-10)13(15)7-8-14-12/h5-9H,2-4H2,1H3,(H,14,15)
InChIKeyFRBJWXNSTZTLJM-UHFFFAOYSA-N
XLogP2.87
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-1H-quinolin-4-one?
The IUPAC name of 6-butyl-1H-quinolin-4-one (CID 43531999) is 6-butyl-1H-quinolin-4-one.
What is the SMILES notation for 6-butyl-1H-quinolin-4-one?
The canonical SMILES for 6-butyl-1H-quinolin-4-one is CCCCc1ccc2[nH]ccc(=O)c2c1.
What is the InChIKey of 6-butyl-1H-quinolin-4-one?
The InChIKey is FRBJWXNSTZTLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-3-4-10-5-6-12-11(9-10)13(15)7-8-14-12/h5-9H,2-4H2,1H3,(H,14,15).
What are the key properties of 6-butyl-1H-quinolin-4-one?
6-butyl-1H-quinolin-4-one has a molecular weight of 201.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-1H-quinolin-4-one is sourced from PubChem (CID 43531999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).