3-ethyl-2-methyl-1H-quinolin-4-one

C12H13NO — CID 599120

IUPAC3-ethyl-2-methyl-1H-quinolin-4-one
SMILESCCc1c(C)[nH]c2ccccc2c1=O
InChIInChI=1S/C12H13NO/c1-3-9-8(2)13-11-7-5-4-6-10(11)12(9)14/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyUUDYPKCYYIOUJD-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.40
Rot. Bonds1

About 3-ethyl-2-methyl-1H-quinolin-4-one

3-ethyl-2-methyl-1H-quinolin-4-one (PubChem CID 599120) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-ethyl-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-methyl-1H-quinolin-4-one
PubChem CID599120
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name3-ethyl-2-methyl-1H-quinolin-4-one
SMILESCCc1c(C)[nH]c2ccccc2c1=O
InChIInChI=1S/C12H13NO/c1-3-9-8(2)13-11-7-5-4-6-10(11)12(9)14/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyUUDYPKCYYIOUJD-UHFFFAOYSA-N
XLogP2.40
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-1H-quinolin-4-one?
The IUPAC name of 3-ethyl-2-methyl-1H-quinolin-4-one (CID 599120) is 3-ethyl-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-ethyl-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-ethyl-2-methyl-1H-quinolin-4-one is CCc1c(C)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-methyl-1H-quinolin-4-one?
The InChIKey is UUDYPKCYYIOUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-9-8(2)13-11-7-5-4-6-10(11)12(9)14/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of 3-ethyl-2-methyl-1H-quinolin-4-one?
3-ethyl-2-methyl-1H-quinolin-4-one has a molecular weight of 187.24 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 599120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).