6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one

C15H15N3O2 — CID 116880657

IUPAC6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(=O)c1ncc(-c2ccc3c(c2)CCC(=O)N3C)[nH]1
InChIInChI=1S/C15H15N3O2/c1-9(19)15-16-8-12(17-15)10-3-5-13-11(7-10)4-6-14(20)18(13)2/h3,5,7-8H,4,6H2,1-2H3,(H,16,17)
InChIKeyKIXCEKIJOIUEHZ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.19
Rot. Bonds2

About 6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one

6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 116880657) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID116880657
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(=O)c1ncc(-c2ccc3c(c2)CCC(=O)N3C)[nH]1
InChIInChI=1S/C15H15N3O2/c1-9(19)15-16-8-12(17-15)10-3-5-13-11(7-10)4-6-14(20)18(13)2/h3,5,7-8H,4,6H2,1-2H3,(H,16,17)
InChIKeyKIXCEKIJOIUEHZ-UHFFFAOYSA-N
XLogP2.19
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one
CID 95473943
5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one
CID 116884391
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid
CID 82306077
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880620
1-methyl-6-(2,3,6,7-tetrahydro-1H-azepin-4-yl)-3,4-dihydroquinolin-2-one
CID 82299704
6-(2-amino-5-methyl-1H-imidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82482606
2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 123991591
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933
5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid
CID 82081323
6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 95474315
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butane-1,3-dione
CID 82294637
6-(4-bromobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63096081

Frequently Asked Questions

What is the IUPAC name of 6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one (CID 116880657) is 6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one is CC(=O)c1ncc(-c2ccc3c(c2)CCC(=O)N3C)[nH]1.
What is the InChIKey of 6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is KIXCEKIJOIUEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9(19)15-16-8-12(17-15)10-3-5-13-11(7-10)4-6-14(20)18(13)2/h3,5,7-8H,4,6H2,1-2H3,(H,16,17).
What are the key properties of 6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 269.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 116880657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).