2,6,8-trimethyl-1H-quinolin-4-one

C12H13NO — CID 705868

IUPAC2,6,8-trimethyl-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(C)cc(=O)c2c1
InChIInChI=1S/C12H13NO/c1-7-4-8(2)12-10(5-7)11(14)6-9(3)13-12/h4-6H,1-3H3,(H,13,14)
InChIKeyHGONRXDUFLRKDC-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.45
Rot. Bonds

About 2,6,8-trimethyl-1H-quinolin-4-one

2,6,8-trimethyl-1H-quinolin-4-one (PubChem CID 705868) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2,6,8-trimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2,6,8-trimethyl-1H-quinolin-4-one
PubChem CID705868
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2,6,8-trimethyl-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(C)cc(=O)c2c1
InChIInChI=1S/C12H13NO/c1-7-4-8(2)12-10(5-7)11(14)6-9(3)13-12/h4-6H,1-3H3,(H,13,14)
InChIKeyHGONRXDUFLRKDC-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 2,6,8-trimethyl-1H-quinolin-4-one?
The IUPAC name of 2,6,8-trimethyl-1H-quinolin-4-one (CID 705868) is 2,6,8-trimethyl-1H-quinolin-4-one.
What is the SMILES notation for 2,6,8-trimethyl-1H-quinolin-4-one?
The canonical SMILES for 2,6,8-trimethyl-1H-quinolin-4-one is Cc1cc(C)c2[nH]c(C)cc(=O)c2c1.
What is the InChIKey of 2,6,8-trimethyl-1H-quinolin-4-one?
The InChIKey is HGONRXDUFLRKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-7-4-8(2)12-10(5-7)11(14)6-9(3)13-12/h4-6H,1-3H3,(H,13,14).
What are the key properties of 2,6,8-trimethyl-1H-quinolin-4-one?
2,6,8-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 2,6,8-trimethyl-1H-quinolin-4-one is sourced from PubChem (CID 705868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).