N-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C19H25FN2O2S — CID 70781799

IUPACN-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCCCSC2CCCCC2)c2cc(F)ccc2N1
InChIInChI=1S/C19H25FN2O2S/c20-13-7-8-17-15(11-13)16(12-18(23)22-17)19(24)21-9-4-10-25-14-5-2-1-3-6-14/h7-8,11,14,16H,1-6,9-10,12H2,(H,21,24)(H,22,23)
InChIKeyWHLLIMFLXNWZLB-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.82
Rot. Bonds6

About N-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 70781799) has the molecular formula C19H25FN2O2S and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID70781799
Molecular FormulaC19H25FN2O2S
Molecular Weight364.49 g/mol
Exact Mass364.16
IUPAC NameN-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCCCSC2CCCCC2)c2cc(F)ccc2N1
InChIInChI=1S/C19H25FN2O2S/c20-13-7-8-17-15(11-13)16(12-18(23)22-17)19(24)21-9-4-10-25-14-5-2-1-3-6-14/h7-8,11,14,16H,1-6,9-10,12H2,(H,21,24)(H,22,23)
InChIKeyWHLLIMFLXNWZLB-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97142730
(4S)-6-fluoro-2-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97130921
(4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97119524
(4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97134218
6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70711274
N-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86985115
(4S)-N-[3-[1-(1,3-dioxolan-2-yl)cycloheptyl]propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 95781327
6-fluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70735481
(4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97157046
6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70776023
7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289
(4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97126877

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 70781799) is N-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NCCCSC2CCCCC2)c2cc(F)ccc2N1.
What is the InChIKey of N-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is WHLLIMFLXNWZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2S/c20-13-7-8-17-15(11-13)16(12-18(23)22-17)19(24)21-9-4-10-25-14-5-2-1-3-6-14/h7-8,11,14,16H,1-6,9-10,12H2,(H,21,24)(H,22,23).
What are the key properties of N-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 70781799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).