6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one

C13H12FN3O — CID 166047857

IUPAC6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nc(-c2ccc3c(c2)CCC(=O)N3)c(F)[nH]1
InChIInChI=1S/C13H12FN3O/c1-7-15-12(13(14)16-7)9-2-4-10-8(6-9)3-5-11(18)17-10/h2,4,6H,3,5H2,1H3,(H,15,16)(H,17,18)
InChIKeySPRUNTMCFJRFNH-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.41
Rot. Bonds1

About 6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one

6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 166047857) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID166047857
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nc(-c2ccc3c(c2)CCC(=O)N3)c(F)[nH]1
InChIInChI=1S/C13H12FN3O/c1-7-15-12(13(14)16-7)9-2-4-10-8(6-9)3-5-11(18)17-10/h2,4,6H,3,5H2,1H3,(H,15,16)(H,17,18)
InChIKeySPRUNTMCFJRFNH-UHFFFAOYSA-N
XLogP2.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-(5-fluoro-2-methyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 167066753
6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82481969
7-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 167066958
6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116897256
6-[2-bromo-5-(methylaminomethyl)-1H-imidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 84610309
6-[2-(2-aminoethyl)-5-bromo-1H-imidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 84610358
6-(2-chloro-3-methylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 167292467
6-(6-fluoroquinolin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 164550234
6-[6-methyl-2-(methylamino)pyrimidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 116894637
6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471
4-bromo-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid
CID 116858186
6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001469

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one (CID 166047857) is 6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one is Cc1nc(-c2ccc3c(c2)CCC(=O)N3)c(F)[nH]1.
What is the InChIKey of 6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SPRUNTMCFJRFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-7-15-12(13(14)16-7)9-2-4-10-8(6-9)3-5-11(18)17-10/h2,4,6H,3,5H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 245.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 166047857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).