3,5,8-trimethyl-1H-quinolin-4-one

C12H13NO — CID 82278063

IUPAC3,5,8-trimethyl-1H-quinolin-4-one
SMILESCc1c[nH]c2c(C)ccc(C)c2c1=O
InChIInChI=1S/C12H13NO/c1-7-4-5-8(2)11-10(7)12(14)9(3)6-13-11/h4-6H,1-3H3,(H,13,14)
InChIKeyMAPQJSGWAFGYFW-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.45
Rot. Bonds

About 3,5,8-trimethyl-1H-quinolin-4-one

3,5,8-trimethyl-1H-quinolin-4-one (PubChem CID 82278063) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 3,5,8-trimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3,5,8-trimethyl-1H-quinolin-4-one
PubChem CID82278063
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name3,5,8-trimethyl-1H-quinolin-4-one
SMILESCc1c[nH]c2c(C)ccc(C)c2c1=O
InChIInChI=1S/C12H13NO/c1-7-4-5-8(2)11-10(7)12(14)9(3)6-13-11/h4-6H,1-3H3,(H,13,14)
InChIKeyMAPQJSGWAFGYFW-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 3,5,8-trimethyl-1H-quinolin-4-one?
The IUPAC name of 3,5,8-trimethyl-1H-quinolin-4-one (CID 82278063) is 3,5,8-trimethyl-1H-quinolin-4-one.
What is the SMILES notation for 3,5,8-trimethyl-1H-quinolin-4-one?
The canonical SMILES for 3,5,8-trimethyl-1H-quinolin-4-one is Cc1c[nH]c2c(C)ccc(C)c2c1=O.
What is the InChIKey of 3,5,8-trimethyl-1H-quinolin-4-one?
The InChIKey is MAPQJSGWAFGYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-7-4-5-8(2)11-10(7)12(14)9(3)6-13-11/h4-6H,1-3H3,(H,13,14).
What are the key properties of 3,5,8-trimethyl-1H-quinolin-4-one?
3,5,8-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 3,5,8-trimethyl-1H-quinolin-4-one is sourced from PubChem (CID 82278063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).