7-butyl-1H-quinolin-2-one

C13H15NO — CID 119093138

IUPAC7-butyl-1H-quinolin-2-one
SMILESCCCCc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C13H15NO/c1-2-3-4-10-5-6-11-7-8-13(15)14-12(11)9-10/h5-9H,2-4H2,1H3,(H,14,15)
InChIKeyULIZMQRBBIQWNH-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.87
Rot. Bonds3

About 7-butyl-1H-quinolin-2-one

7-butyl-1H-quinolin-2-one (PubChem CID 119093138) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 7-butyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-butyl-1H-quinolin-2-one
PubChem CID119093138
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name7-butyl-1H-quinolin-2-one
SMILESCCCCc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C13H15NO/c1-2-3-4-10-5-6-11-7-8-13(15)14-12(11)9-10/h5-9H,2-4H2,1H3,(H,14,15)
InChIKeyULIZMQRBBIQWNH-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 7-butyl-1H-quinolin-2-one?
The IUPAC name of 7-butyl-1H-quinolin-2-one (CID 119093138) is 7-butyl-1H-quinolin-2-one.
What is the SMILES notation for 7-butyl-1H-quinolin-2-one?
The canonical SMILES for 7-butyl-1H-quinolin-2-one is CCCCc1ccc2ccc(=O)[nH]c2c1.
What is the InChIKey of 7-butyl-1H-quinolin-2-one?
The InChIKey is ULIZMQRBBIQWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-3-4-10-5-6-11-7-8-13(15)14-12(11)9-10/h5-9H,2-4H2,1H3,(H,14,15).
What are the key properties of 7-butyl-1H-quinolin-2-one?
7-butyl-1H-quinolin-2-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 7-butyl-1H-quinolin-2-one is sourced from PubChem (CID 119093138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).