4-(2-fluorophenyl)sulfanyl-8-nitro-1H-quinolin-2-one

C15H9FN2O3S — CID 118732011

IUPAC4-(2-fluorophenyl)sulfanyl-8-nitro-1H-quinolin-2-one
SMILESO=c1cc(Sc2ccccc2F)c2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C15H9FN2O3S/c16-10-5-1-2-7-12(10)22-13-8-14(19)17-15-9(13)4-3-6-11(15)18(20)21/h1-8H,(H,17,19)
InChIKeyYDCOGTKKSXCGHX-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.73
Rot. Bonds3

About 4-(2-fluorophenyl)sulfanyl-8-nitro-1H-quinolin-2-one

4-(2-fluorophenyl)sulfanyl-8-nitro-1H-quinolin-2-one (PubChem CID 118732011) has the molecular formula C15H9FN2O3S and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfanyl-8-nitro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfanyl-8-nitro-1H-quinolin-2-one
PubChem CID118732011
Molecular FormulaC15H9FN2O3S
Molecular Weight316.31 g/mol
Exact Mass316.03
IUPAC Name4-(2-fluorophenyl)sulfanyl-8-nitro-1H-quinolin-2-one
SMILESO=c1cc(Sc2ccccc2F)c2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C15H9FN2O3S/c16-10-5-1-2-7-12(10)22-13-8-14(19)17-15-9(13)4-3-6-11(15)18(20)21/h1-8H,(H,17,19)
InChIKeyYDCOGTKKSXCGHX-UHFFFAOYSA-N
XLogP3.73
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-2-nitro-3-(2-nitrophenyl)sulfanylbenzene
CID 62690853
4-(4-bromophenyl)-8-nitro-1H-quinolin-2-one
CID 118728040
8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one
CID 102503290
3-(2-fluorophenyl)sulfanyl-2-nitroaniline
CID 80884267
1-(2,3-dinitrophenyl)sulfanyl-2,3-dinitrobenzene
CID 54456193
8-nitro-1H-3,1-benzoxazine-2,4-dione
CID 10899806
(1R)-1-[3-fluoro-4-(2-nitrophenyl)sulfanylphenyl]ethanamine
CID 63370294
2,3-dimethyl-8-nitro-1H-quinolin-4-one
CID 139782421
2-[4-(2-fluorophenyl)sulfanyl-3-nitrobenzoyl]benzoic acid
CID 45318774
1-nitro-7-(trifluoromethyl)-9H-carbazole
CID 68927273
4-(2-nitrophenyl)sulfanylnaphthalen-1-ol
CID 23239241
8-nitro-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-4-one
CID 58552922

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)sulfanyl-8-nitro-1H-quinolin-2-one?
The IUPAC name of 4-(2-fluorophenyl)sulfanyl-8-nitro-1H-quinolin-2-one (CID 118732011) is 4-(2-fluorophenyl)sulfanyl-8-nitro-1H-quinolin-2-one.
What is the SMILES notation for 4-(2-fluorophenyl)sulfanyl-8-nitro-1H-quinolin-2-one?
The canonical SMILES for 4-(2-fluorophenyl)sulfanyl-8-nitro-1H-quinolin-2-one is O=c1cc(Sc2ccccc2F)c2cccc([N+](=O)[O-])c2[nH]1.
What is the InChIKey of 4-(2-fluorophenyl)sulfanyl-8-nitro-1H-quinolin-2-one?
The InChIKey is YDCOGTKKSXCGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3S/c16-10-5-1-2-7-12(10)22-13-8-14(19)17-15-9(13)4-3-6-11(15)18(20)21/h1-8H,(H,17,19).
What are the key properties of 4-(2-fluorophenyl)sulfanyl-8-nitro-1H-quinolin-2-one?
4-(2-fluorophenyl)sulfanyl-8-nitro-1H-quinolin-2-one has a molecular weight of 316.31 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)sulfanyl-8-nitro-1H-quinolin-2-one is sourced from PubChem (CID 118732011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).