1,2,2,8-tetramethyl-3H-quinolin-4-one

C13H17NO — CID 54046594

IUPAC1,2,2,8-tetramethyl-3H-quinolin-4-one
SMILESCc1cccc2c1N(C)C(C)(C)CC2=O
InChIInChI=1S/C13H17NO/c1-9-6-5-7-10-11(15)8-13(2,3)14(4)12(9)10/h5-7H,8H2,1-4H3
InChIKeyLPZRZLMJQAIVOE-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.80
Rot. Bonds

About 1,2,2,8-tetramethyl-3H-quinolin-4-one

1,2,2,8-tetramethyl-3H-quinolin-4-one (PubChem CID 54046594) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1,2,2,8-tetramethyl-3H-quinolin-4-one.

Molecular Properties

Compound Name1,2,2,8-tetramethyl-3H-quinolin-4-one
PubChem CID54046594
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1,2,2,8-tetramethyl-3H-quinolin-4-one
SMILESCc1cccc2c1N(C)C(C)(C)CC2=O
InChIInChI=1S/C13H17NO/c1-9-6-5-7-10-11(15)8-13(2,3)14(4)12(9)10/h5-7H,8H2,1-4H3
InChIKeyLPZRZLMJQAIVOE-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,8-tetramethyl-3H-quinolin-4-one?
The IUPAC name of 1,2,2,8-tetramethyl-3H-quinolin-4-one (CID 54046594) is 1,2,2,8-tetramethyl-3H-quinolin-4-one.
What is the SMILES notation for 1,2,2,8-tetramethyl-3H-quinolin-4-one?
The canonical SMILES for 1,2,2,8-tetramethyl-3H-quinolin-4-one is Cc1cccc2c1N(C)C(C)(C)CC2=O.
What is the InChIKey of 1,2,2,8-tetramethyl-3H-quinolin-4-one?
The InChIKey is LPZRZLMJQAIVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-6-5-7-10-11(15)8-13(2,3)14(4)12(9)10/h5-7H,8H2,1-4H3.
What are the key properties of 1,2,2,8-tetramethyl-3H-quinolin-4-one?
1,2,2,8-tetramethyl-3H-quinolin-4-one has a molecular weight of 203.28 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,8-tetramethyl-3H-quinolin-4-one is sourced from PubChem (CID 54046594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).