6-[3-[1-(2-aminophenyl)imidazol-2-yl]sulfinylpropoxy]-3,4-dihydro-1H-quinolin-2-one

C21H22N4O3S — CID 10669277

IUPAC6-[3-[1-(2-aminophenyl)imidazol-2-yl]sulfinylpropoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1ccccc1-n1ccnc1S(=O)CCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H22N4O3S/c22-17-4-1-2-5-19(17)25-11-10-23-21(25)29(27)13-3-12-28-16-7-8-18-15(14-16)6-9-20(26)24-18/h1-2,4-5,7-8,10-11,14H,3,6,9,12-13,22H2,(H,24,26)
InChIKeyRAMAYPZTIRBKKV-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.92
Rot. Bonds7

About 6-[3-[1-(2-aminophenyl)imidazol-2-yl]sulfinylpropoxy]-3,4-dihydro-1H-quinolin-2-one

6-[3-[1-(2-aminophenyl)imidazol-2-yl]sulfinylpropoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 10669277) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 6-[3-[1-(2-aminophenyl)imidazol-2-yl]sulfinylpropoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-[1-(2-aminophenyl)imidazol-2-yl]sulfinylpropoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID10669277
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name6-[3-[1-(2-aminophenyl)imidazol-2-yl]sulfinylpropoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1ccccc1-n1ccnc1S(=O)CCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H22N4O3S/c22-17-4-1-2-5-19(17)25-11-10-23-21(25)29(27)13-3-12-28-16-7-8-18-15(14-16)6-9-20(26)24-18/h1-2,4-5,7-8,10-11,14H,3,6,9,12-13,22H2,(H,24,26)
InChIKeyRAMAYPZTIRBKKV-UHFFFAOYSA-N
XLogP2.92
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(benzenesulfinyl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 13138341
6-[4-(3,4-dichlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 22901614
6-[2-(2-phenylimidazol-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 163397351
6-[3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 14289489
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
pyridine;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88752389
6-(4-pyridin-2-ylsulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 20539996
6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 13054218
2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 60562887
6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10835345
6-[2-[(R)-naphthalen-1-ylmethylsulfinyl]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 98235067
6-(4-pyridin-4-ylsulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 20540127

Frequently Asked Questions

What is the IUPAC name of 6-[3-[1-(2-aminophenyl)imidazol-2-yl]sulfinylpropoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-[1-(2-aminophenyl)imidazol-2-yl]sulfinylpropoxy]-3,4-dihydro-1H-quinolin-2-one (CID 10669277) is 6-[3-[1-(2-aminophenyl)imidazol-2-yl]sulfinylpropoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-[1-(2-aminophenyl)imidazol-2-yl]sulfinylpropoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-[1-(2-aminophenyl)imidazol-2-yl]sulfinylpropoxy]-3,4-dihydro-1H-quinolin-2-one is Nc1ccccc1-n1ccnc1S(=O)CCCOc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[3-[1-(2-aminophenyl)imidazol-2-yl]sulfinylpropoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RAMAYPZTIRBKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c22-17-4-1-2-5-19(17)25-11-10-23-21(25)29(27)13-3-12-28-16-7-8-18-15(14-16)6-9-20(26)24-18/h1-2,4-5,7-8,10-11,14H,3,6,9,12-13,22H2,(H,24,26).
What are the key properties of 6-[3-[1-(2-aminophenyl)imidazol-2-yl]sulfinylpropoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[3-[1-(2-aminophenyl)imidazol-2-yl]sulfinylpropoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 410.50 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[1-(2-aminophenyl)imidazol-2-yl]sulfinylpropoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 10669277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).