7-fluoro-6-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one

C15H14FN3O2S — CID 51083209

IUPAC7-fluoro-6-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCn1ccnc1SCC(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C15H14FN3O2S/c1-19-5-4-17-15(19)22-8-13(20)10-6-9-2-3-14(21)18-12(9)7-11(10)16/h4-7H,2-3,8H2,1H3,(H,18,21)
InChIKeyQSPZWAPFFSIHBP-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.42
Rot. Bonds4

About 7-fluoro-6-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 51083209) has the molecular formula C15H14FN3O2S and a molecular weight of 319.36 g/mol. Its IUPAC name is 7-fluoro-6-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID51083209
Molecular FormulaC15H14FN3O2S
Molecular Weight319.36 g/mol
Exact Mass319.08
IUPAC Name7-fluoro-6-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCn1ccnc1SCC(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C15H14FN3O2S/c1-19-5-4-17-15(19)22-8-13(20)10-6-9-2-3-14(21)18-12(9)7-11(10)16/h4-7H,2-3,8H2,1H3,(H,18,21)
InChIKeyQSPZWAPFFSIHBP-UHFFFAOYSA-N
XLogP2.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one
CID 134065250
6-[2-(3,4-dimethylphenyl)sulfanylacetyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 71894605
7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457554
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298263
2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid
CID 61327398
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528
4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile
CID 47044616
1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 43226508
1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 52887676
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103500030
1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 724945

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one (CID 51083209) is 7-fluoro-6-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one is Cn1ccnc1SCC(=O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 7-fluoro-6-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QSPZWAPFFSIHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S/c1-19-5-4-17-15(19)22-8-13(20)10-6-9-2-3-14(21)18-12(9)7-11(10)16/h4-7H,2-3,8H2,1H3,(H,18,21).
What are the key properties of 7-fluoro-6-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 319.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 51083209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).