3,6,7,8-tetramethyl-1H-quinolin-4-one

C13H15NO — CID 20587758

IUPAC3,6,7,8-tetramethyl-1H-quinolin-4-one
SMILESCc1cc2c(=O)c(C)c[nH]c2c(C)c1C
InChIInChI=1S/C13H15NO/c1-7-5-11-12(10(4)9(7)3)14-6-8(2)13(11)15/h5-6H,1-4H3,(H,14,15)
InChIKeyKNERCSHVVFEHCL-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.76
Rot. Bonds

About 3,6,7,8-tetramethyl-1H-quinolin-4-one

3,6,7,8-tetramethyl-1H-quinolin-4-one (PubChem CID 20587758) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3,6,7,8-tetramethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3,6,7,8-tetramethyl-1H-quinolin-4-one
PubChem CID20587758
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3,6,7,8-tetramethyl-1H-quinolin-4-one
SMILESCc1cc2c(=O)c(C)c[nH]c2c(C)c1C
InChIInChI=1S/C13H15NO/c1-7-5-11-12(10(4)9(7)3)14-6-8(2)13(11)15/h5-6H,1-4H3,(H,14,15)
InChIKeyKNERCSHVVFEHCL-UHFFFAOYSA-N
XLogP2.76
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

actinium;8-(hydroxymethyl)-3,6-dimethyl-1H-quinolin-4-one
CID 21360695
8-bromo-3-methyl-1H-quinolin-4-one;ethane
CID 144929790
oxophosphane;2,3,4-trimethylbicyclo[4.1.0]hepta-1(6),2,4-trien-7-one
CID 174600753
3,5,8-trimethyl-1H-quinolin-4-one
CID 82278063
8-chloro-3-methyl-1H-1,7-naphthyridin-4-one
CID 129293771
7-fluoro-3-methyl-1H-quinolin-4-one
CID 175970983
6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 11806724
6,7,8-trimethyl-3H-quinazolin-4-one
CID 137284029
5-amino-3-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
CID 45115960
6-iodo-3-methyl-1,8-dihydroquinolin-8-id-4-one;yttrium
CID 59094603
2,3-dichloro-5-methyl-1H-pyridin-4-one
CID 138510819
3-methyl-8-(methylaminomethyl)-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one
CID 21360687

Frequently Asked Questions

What is the IUPAC name of 3,6,7,8-tetramethyl-1H-quinolin-4-one?
The IUPAC name of 3,6,7,8-tetramethyl-1H-quinolin-4-one (CID 20587758) is 3,6,7,8-tetramethyl-1H-quinolin-4-one.
What is the SMILES notation for 3,6,7,8-tetramethyl-1H-quinolin-4-one?
The canonical SMILES for 3,6,7,8-tetramethyl-1H-quinolin-4-one is Cc1cc2c(=O)c(C)c[nH]c2c(C)c1C.
What is the InChIKey of 3,6,7,8-tetramethyl-1H-quinolin-4-one?
The InChIKey is KNERCSHVVFEHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-7-5-11-12(10(4)9(7)3)14-6-8(2)13(11)15/h5-6H,1-4H3,(H,14,15).
What are the key properties of 3,6,7,8-tetramethyl-1H-quinolin-4-one?
3,6,7,8-tetramethyl-1H-quinolin-4-one has a molecular weight of 201.27 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,8-tetramethyl-1H-quinolin-4-one is sourced from PubChem (CID 20587758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).