6-acetyl-8-ethyl-1H-quinolin-2-one

C13H13NO2 — CID 82212904

IUPAC6-acetyl-8-ethyl-1H-quinolin-2-one
SMILESCCc1cc(C(C)=O)cc2ccc(=O)[nH]c12
InChIInChI=1S/C13H13NO2/c1-3-9-6-11(8(2)15)7-10-4-5-12(16)14-13(9)10/h4-7H,3H2,1-2H3,(H,14,16)
InChIKeyMDPXMYUJLOHDJS-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.29
Rot. Bonds2

About 6-acetyl-8-ethyl-1H-quinolin-2-one

6-acetyl-8-ethyl-1H-quinolin-2-one (PubChem CID 82212904) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 6-acetyl-8-ethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-acetyl-8-ethyl-1H-quinolin-2-one
PubChem CID82212904
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name6-acetyl-8-ethyl-1H-quinolin-2-one
SMILESCCc1cc(C(C)=O)cc2ccc(=O)[nH]c12
InChIInChI=1S/C13H13NO2/c1-3-9-6-11(8(2)15)7-10-4-5-12(16)14-13(9)10/h4-7H,3H2,1-2H3,(H,14,16)
InChIKeyMDPXMYUJLOHDJS-UHFFFAOYSA-N
XLogP2.29
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-8-ethyl-1H-quinolin-2-one
CID 81288840
8-fluoro-6-propanoyl-1H-quinolin-2-one
CID 82212911
1-(6-ethylnaphthalen-2-yl)ethanone
CID 23046884
2-oxo-8-propan-2-yl-1H-quinoline-6-carboxylic acid
CID 23359067
8-bromo-2-oxo-1H-quinoline-6-carboxylic acid
CID 82213223
ethyl 8-cyclopropyl-2-oxo-1H-quinoline-6-carboxylate
CID 90129630
8-propyl-1H-quinolin-2-one
CID 10877864
ethyl 2-oxo-1H-quinoline-7-carboxylate
CID 15091487
1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone
CID 123412123
7-ethyl-1H-1,8-naphthyridin-2-one
CID 23335413
3-ethyl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one
CID 118357689
1-(7-acetylanthracen-2-yl)ethanone
CID 139364083

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-ethyl-1H-quinolin-2-one?
The IUPAC name of 6-acetyl-8-ethyl-1H-quinolin-2-one (CID 82212904) is 6-acetyl-8-ethyl-1H-quinolin-2-one.
What is the SMILES notation for 6-acetyl-8-ethyl-1H-quinolin-2-one?
The canonical SMILES for 6-acetyl-8-ethyl-1H-quinolin-2-one is CCc1cc(C(C)=O)cc2ccc(=O)[nH]c12.
What is the InChIKey of 6-acetyl-8-ethyl-1H-quinolin-2-one?
The InChIKey is MDPXMYUJLOHDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-3-9-6-11(8(2)15)7-10-4-5-12(16)14-13(9)10/h4-7H,3H2,1-2H3,(H,14,16).
What are the key properties of 6-acetyl-8-ethyl-1H-quinolin-2-one?
6-acetyl-8-ethyl-1H-quinolin-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-ethyl-1H-quinolin-2-one is sourced from PubChem (CID 82212904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).