1-acetyl-8-methyl-2,3-dihydroquinolin-4-one

C12H13NO2 — CID 110635435

IUPAC1-acetyl-8-methyl-2,3-dihydroquinolin-4-one
SMILESCC(=O)N1CCC(=O)c2cccc(C)c21
InChIInChI=1S/C12H13NO2/c1-8-4-3-5-10-11(15)6-7-13(9(2)14)12(8)10/h3-5H,6-7H2,1-2H3
InChIKeyZFQIAGBKSMXNHT-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.93
Rot. Bonds

About 1-acetyl-8-methyl-2,3-dihydroquinolin-4-one

1-acetyl-8-methyl-2,3-dihydroquinolin-4-one (PubChem CID 110635435) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-acetyl-8-methyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-acetyl-8-methyl-2,3-dihydroquinolin-4-one
PubChem CID110635435
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-acetyl-8-methyl-2,3-dihydroquinolin-4-one
SMILESCC(=O)N1CCC(=O)c2cccc(C)c21
InChIInChI=1S/C12H13NO2/c1-8-4-3-5-10-11(15)6-7-13(9(2)14)12(8)10/h3-5H,6-7H2,1-2H3
InChIKeyZFQIAGBKSMXNHT-UHFFFAOYSA-N
XLogP1.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methylacridone
CID 69751
1-Methyl-4-quinolone
CID 6748
Bentazon methyl
CID 611316
1,3-Dimethyl-2,4(1H,3H)-quinazolinedione
CID 101217
6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 11521736
10-(6-(diethylamino)hexyl)acridin-9(10H)-one
CID 44566054
5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CID 2786143
1-(2-Fluorobenzoyl)-1,2,3,4-tetrahydroquinoline
CID 772045
3,3-Dichloro-1-methylquinoline-2,4(1H,3H)-dione
CID 2785054
4,4,6,8-Tetramethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CID 2927068
6'-Methyl-5',6'-dihydrospiro[cyclohexane-1,4'-pyrrolo[3,2,1-ij]quinoline]-1',2'-dione
CID 2968636
1,7-dimethyl-1H-indole-2,3-dione
CID 4730265

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-8-methyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-acetyl-8-methyl-2,3-dihydroquinolin-4-one (CID 110635435) is 1-acetyl-8-methyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-acetyl-8-methyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-acetyl-8-methyl-2,3-dihydroquinolin-4-one is CC(=O)N1CCC(=O)c2cccc(C)c21.
What is the InChIKey of 1-acetyl-8-methyl-2,3-dihydroquinolin-4-one?
The InChIKey is ZFQIAGBKSMXNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-4-3-5-10-11(15)6-7-13(9(2)14)12(8)10/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-acetyl-8-methyl-2,3-dihydroquinolin-4-one?
1-acetyl-8-methyl-2,3-dihydroquinolin-4-one has a molecular weight of 203.24 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-8-methyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110635435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).