3,5,6-trimethyl-1H-quinolin-4-one

C12H13NO — CID 58678059

IUPAC3,5,6-trimethyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]cc(C)c(=O)c2c1C
InChIInChI=1S/C12H13NO/c1-7-4-5-10-11(9(7)3)12(14)8(2)6-13-10/h4-6H,1-3H3,(H,13,14)
InChIKeyHJUYHHYHMZNDGA-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.45
Rot. Bonds

About 3,5,6-trimethyl-1H-quinolin-4-one

3,5,6-trimethyl-1H-quinolin-4-one (PubChem CID 58678059) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 3,5,6-trimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3,5,6-trimethyl-1H-quinolin-4-one
PubChem CID58678059
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name3,5,6-trimethyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]cc(C)c(=O)c2c1C
InChIInChI=1S/C12H13NO/c1-7-4-5-10-11(9(7)3)12(14)8(2)6-13-10/h4-6H,1-3H3,(H,13,14)
InChIKeyHJUYHHYHMZNDGA-UHFFFAOYSA-N
XLogP2.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-1H-quinolin-4-one?
The IUPAC name of 3,5,6-trimethyl-1H-quinolin-4-one (CID 58678059) is 3,5,6-trimethyl-1H-quinolin-4-one.
What is the SMILES notation for 3,5,6-trimethyl-1H-quinolin-4-one?
The canonical SMILES for 3,5,6-trimethyl-1H-quinolin-4-one is Cc1ccc2[nH]cc(C)c(=O)c2c1C.
What is the InChIKey of 3,5,6-trimethyl-1H-quinolin-4-one?
The InChIKey is HJUYHHYHMZNDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-7-4-5-10-11(9(7)3)12(14)8(2)6-13-10/h4-6H,1-3H3,(H,13,14).
What are the key properties of 3,5,6-trimethyl-1H-quinolin-4-one?
3,5,6-trimethyl-1H-quinolin-4-one has a molecular weight of 187.24 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-1H-quinolin-4-one is sourced from PubChem (CID 58678059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).