5-[4-(dimethylamino)quinolin-6-yl]-3-[(4-fluorophenyl)sulfanylamino]-1H-pyridin-2-one

C22H19FN4OS — CID 143915420

IUPAC5-[4-(dimethylamino)quinolin-6-yl]-3-[(4-fluorophenyl)sulfanylamino]-1H-pyridin-2-one
SMILESCN(C)c1ccnc2ccc(-c3c[nH]c(=O)c(NSc4ccc(F)cc4)c3)cc12
InChIInChI=1S/C22H19FN4OS/c1-27(2)21-9-10-24-19-8-3-14(11-18(19)21)15-12-20(22(28)25-13-15)26-29-17-6-4-16(23)5-7-17/h3-13,26H,1-2H3,(H,25,28)
InChIKeySUJBYTFPLSVQGU-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.91
Rot. Bonds5

About 5-[4-(dimethylamino)quinolin-6-yl]-3-[(4-fluorophenyl)sulfanylamino]-1H-pyridin-2-one

5-[4-(dimethylamino)quinolin-6-yl]-3-[(4-fluorophenyl)sulfanylamino]-1H-pyridin-2-one (PubChem CID 143915420) has the molecular formula C22H19FN4OS and a molecular weight of 406.49 g/mol. Its IUPAC name is 5-[4-(dimethylamino)quinolin-6-yl]-3-[(4-fluorophenyl)sulfanylamino]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(dimethylamino)quinolin-6-yl]-3-[(4-fluorophenyl)sulfanylamino]-1H-pyridin-2-one
PubChem CID143915420
Molecular FormulaC22H19FN4OS
Molecular Weight406.49 g/mol
Exact Mass406.13
IUPAC Name5-[4-(dimethylamino)quinolin-6-yl]-3-[(4-fluorophenyl)sulfanylamino]-1H-pyridin-2-one
SMILESCN(C)c1ccnc2ccc(-c3c[nH]c(=O)c(NSc4ccc(F)cc4)c3)cc12
InChIInChI=1S/C22H19FN4OS/c1-27(2)21-9-10-24-19-8-3-14(11-18(19)21)15-12-20(22(28)25-13-15)26-29-17-6-4-16(23)5-7-17/h3-13,26H,1-2H3,(H,25,28)
InChIKeySUJBYTFPLSVQGU-UHFFFAOYSA-N
XLogP4.91
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[(4-fluorophenyl)sulfanyl]isoquinoline-1,4-diamine
CID 139570965
5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine
CID 142401027
6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-4-[2-methoxyethyl(methyl)amino]quinoline
CID 58229472
amino N-[1-[6-[5-(methanesulfinamido)-6-oxo-1H-pyridin-3-yl]quinolin-4-yl]-2,5-dihydropyrrol-3-yl]cyclopropanecarboximidate
CID 143915367
N-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609700
6-(3H-benzimidazol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine
CID 173470267
2,4-difluoro-N-[5-(4-fluoro-1-oxo-2H-isoquinolin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 169171469
N-[4-(dimethylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide
CID 24810354
6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one
CID 167090428
methyl 4-(4-fluorophenyl)pyridine-2-carboxylate
CID 54226711
N,N,2-trimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156690045
[5-[4-(dimethylamino)-3-hydroxyphenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-4-ylmethanone
CID 137490362

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)quinolin-6-yl]-3-[(4-fluorophenyl)sulfanylamino]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(dimethylamino)quinolin-6-yl]-3-[(4-fluorophenyl)sulfanylamino]-1H-pyridin-2-one (CID 143915420) is 5-[4-(dimethylamino)quinolin-6-yl]-3-[(4-fluorophenyl)sulfanylamino]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(dimethylamino)quinolin-6-yl]-3-[(4-fluorophenyl)sulfanylamino]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(dimethylamino)quinolin-6-yl]-3-[(4-fluorophenyl)sulfanylamino]-1H-pyridin-2-one is CN(C)c1ccnc2ccc(-c3c[nH]c(=O)c(NSc4ccc(F)cc4)c3)cc12.
What is the InChIKey of 5-[4-(dimethylamino)quinolin-6-yl]-3-[(4-fluorophenyl)sulfanylamino]-1H-pyridin-2-one?
The InChIKey is SUJBYTFPLSVQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4OS/c1-27(2)21-9-10-24-19-8-3-14(11-18(19)21)15-12-20(22(28)25-13-15)26-29-17-6-4-16(23)5-7-17/h3-13,26H,1-2H3,(H,25,28).
What are the key properties of 5-[4-(dimethylamino)quinolin-6-yl]-3-[(4-fluorophenyl)sulfanylamino]-1H-pyridin-2-one?
5-[4-(dimethylamino)quinolin-6-yl]-3-[(4-fluorophenyl)sulfanylamino]-1H-pyridin-2-one has a molecular weight of 406.49 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)quinolin-6-yl]-3-[(4-fluorophenyl)sulfanylamino]-1H-pyridin-2-one is sourced from PubChem (CID 143915420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).