N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide

C18H17FN2O2S — CID 39282722

IUPACN-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)Nc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C18H17FN2O2S/c1-11-4-2-3-5-16(11)24-10-18(23)21-15-9-14-12(8-13(15)19)6-7-17(22)20-14/h2-5,8-9H,6-7,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyTYVRFXYVPUPIHA-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.75
Rot. Bonds4

About N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide

N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 39282722) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide
PubChem CID39282722
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC NameN-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)Nc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C18H17FN2O2S/c1-11-4-2-3-5-16(11)24-10-18(23)21-15-9-14-12(8-13(15)19)6-7-17(22)20-14/h2-5,8-9H,6-7,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyTYVRFXYVPUPIHA-UHFFFAOYSA-N
XLogP3.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide
CID 39283738
N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 26683495
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
(2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide
CID 61172664
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methoxypropanamide
CID 81083314
2-(ethylamino)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-methylpropanamide
CID 62833433
N-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide
CID 32600536
1-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119730215
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-propylbenzamide
CID 146350520
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290
4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide
CID 31964988

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide (CID 39282722) is N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide is Cc1ccccc1SCC(=O)Nc1cc2c(cc1F)CCC(=O)N2.
What is the InChIKey of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is TYVRFXYVPUPIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-11-4-2-3-5-16(11)24-10-18(23)21-15-9-14-12(8-13(15)19)6-7-17(22)20-14/h2-5,8-9H,6-7,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide?
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 344.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 39282722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).