3-butyl-4,6-dimethyl-1H-quinolin-2-one

C15H19NO — CID 2058362

IUPAC3-butyl-4,6-dimethyl-1H-quinolin-2-one
SMILESCCCCc1c(C)c2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C15H19NO/c1-4-5-6-12-11(3)13-9-10(2)7-8-14(13)16-15(12)17/h7-9H,4-6H2,1-3H3,(H,16,17)
InChIKeyUOWZVOLMDUJRJP-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.49
Rot. Bonds3

About 3-butyl-4,6-dimethyl-1H-quinolin-2-one

3-butyl-4,6-dimethyl-1H-quinolin-2-one (PubChem CID 2058362) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-butyl-4,6-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-butyl-4,6-dimethyl-1H-quinolin-2-one
PubChem CID2058362
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-butyl-4,6-dimethyl-1H-quinolin-2-one
SMILESCCCCc1c(C)c2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C15H19NO/c1-4-5-6-12-11(3)13-9-10(2)7-8-14(13)16-15(12)17/h7-9H,4-6H2,1-3H3,(H,16,17)
InChIKeyUOWZVOLMDUJRJP-UHFFFAOYSA-N
XLogP3.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4,6-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-butyl-4,6-dimethyl-1H-quinolin-2-one (CID 2058362) is 3-butyl-4,6-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-butyl-4,6-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-butyl-4,6-dimethyl-1H-quinolin-2-one is CCCCc1c(C)c2cc(C)ccc2[nH]c1=O.
What is the InChIKey of 3-butyl-4,6-dimethyl-1H-quinolin-2-one?
The InChIKey is UOWZVOLMDUJRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-5-6-12-11(3)13-9-10(2)7-8-14(13)16-15(12)17/h7-9H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 3-butyl-4,6-dimethyl-1H-quinolin-2-one?
3-butyl-4,6-dimethyl-1H-quinolin-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4,6-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 2058362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).