6-[[(2,3-difluoro-4-methylphenyl)methyl-hydroxyamino]sulfanylamino]-1-propyl-3,4-dihydroquinolin-2-one

C20H23F2N3O2S — CID 135192173

IUPAC6-[[(2,3-difluoro-4-methylphenyl)methyl-hydroxyamino]sulfanylamino]-1-propyl-3,4-dihydroquinolin-2-one
SMILESCCCN1C(=O)CCc2cc(NSN(O)Cc3ccc(C)c(F)c3F)ccc21
InChIInChI=1S/C20H23F2N3O2S/c1-3-10-24-17-8-7-16(11-14(17)6-9-18(24)26)23-28-25(27)12-15-5-4-13(2)19(21)20(15)22/h4-5,7-8,11,23,27H,3,6,9-10,12H2,1-2H3
InChIKeyCEAPMJPUVGZRQN-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.83
Rot. Bonds7

About 6-[[(2,3-difluoro-4-methylphenyl)methyl-hydroxyamino]sulfanylamino]-1-propyl-3,4-dihydroquinolin-2-one

6-[[(2,3-difluoro-4-methylphenyl)methyl-hydroxyamino]sulfanylamino]-1-propyl-3,4-dihydroquinolin-2-one (PubChem CID 135192173) has the molecular formula C20H23F2N3O2S and a molecular weight of 407.49 g/mol. Its IUPAC name is 6-[[(2,3-difluoro-4-methylphenyl)methyl-hydroxyamino]sulfanylamino]-1-propyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[[(2,3-difluoro-4-methylphenyl)methyl-hydroxyamino]sulfanylamino]-1-propyl-3,4-dihydroquinolin-2-one
PubChem CID135192173
Molecular FormulaC20H23F2N3O2S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name6-[[(2,3-difluoro-4-methylphenyl)methyl-hydroxyamino]sulfanylamino]-1-propyl-3,4-dihydroquinolin-2-one
SMILESCCCN1C(=O)CCc2cc(NSN(O)Cc3ccc(C)c(F)c3F)ccc21
InChIInChI=1S/C20H23F2N3O2S/c1-3-10-24-17-8-7-16(11-14(17)6-9-18(24)26)23-28-25(27)12-15-5-4-13(2)19(21)20(15)22/h4-5,7-8,11,23,27H,3,6,9-10,12H2,1-2H3
InChIKeyCEAPMJPUVGZRQN-UHFFFAOYSA-N
XLogP4.83
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[[(2,3-difluoro-4-methylphenyl)methyl-hydroxyamino]sulfanylamino]-1-propyl-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

2,2-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 16926756
3,5-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926766
1-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 16927317
3,3-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)butanamide
CID 16926796
(2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 97109094
3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid
CID 122088702
3-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)pyridine-4-carboxamide
CID 75515505
6-[[(2,4-dimethylphenyl)methyl-ethoxyphosphoryl]amino]-1-propyl-3,4-dihydroquinolin-2-one
CID 126481215
1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea
CID 30376456
2-(5-methyl-1H-pyrazol-3-yl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide
CID 75441927
2-(2-hydroxyphenyl)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide
CID 166213006
2-ethoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)naphthalene-1-carboxamide
CID 16926745

Frequently Asked Questions

What is the IUPAC name of 6-[[(2,3-difluoro-4-methylphenyl)methyl-hydroxyamino]sulfanylamino]-1-propyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[[(2,3-difluoro-4-methylphenyl)methyl-hydroxyamino]sulfanylamino]-1-propyl-3,4-dihydroquinolin-2-one (CID 135192173) is 6-[[(2,3-difluoro-4-methylphenyl)methyl-hydroxyamino]sulfanylamino]-1-propyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[[(2,3-difluoro-4-methylphenyl)methyl-hydroxyamino]sulfanylamino]-1-propyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[[(2,3-difluoro-4-methylphenyl)methyl-hydroxyamino]sulfanylamino]-1-propyl-3,4-dihydroquinolin-2-one is CCCN1C(=O)CCc2cc(NSN(O)Cc3ccc(C)c(F)c3F)ccc21.
What is the InChIKey of 6-[[(2,3-difluoro-4-methylphenyl)methyl-hydroxyamino]sulfanylamino]-1-propyl-3,4-dihydroquinolin-2-one?
The InChIKey is CEAPMJPUVGZRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2S/c1-3-10-24-17-8-7-16(11-14(17)6-9-18(24)26)23-28-25(27)12-15-5-4-13(2)19(21)20(15)22/h4-5,7-8,11,23,27H,3,6,9-10,12H2,1-2H3.
What are the key properties of 6-[[(2,3-difluoro-4-methylphenyl)methyl-hydroxyamino]sulfanylamino]-1-propyl-3,4-dihydroquinolin-2-one?
6-[[(2,3-difluoro-4-methylphenyl)methyl-hydroxyamino]sulfanylamino]-1-propyl-3,4-dihydroquinolin-2-one has a molecular weight of 407.49 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2,3-difluoro-4-methylphenyl)methyl-hydroxyamino]sulfanylamino]-1-propyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 135192173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).