1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea

C18H20FN3O3S — CID 30374225

IUPAC1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea
SMILESCCS(=O)(=O)N1CCCc2cc(NC(=O)Nc3ccc(F)cc3)ccc21
InChIInChI=1S/C18H20FN3O3S/c1-2-26(24,25)22-11-3-4-13-12-16(9-10-17(13)22)21-18(23)20-15-7-5-14(19)6-8-15/h5-10,12H,2-4,11H2,1H3,(H2,20,21,23)
InChIKeyDXEDYCBSCGKGGX-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.57
Rot. Bonds4

About 1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea

1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea (PubChem CID 30374225) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea
PubChem CID30374225
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea
SMILESCCS(=O)(=O)N1CCCc2cc(NC(=O)Nc3ccc(F)cc3)ccc21
InChIInChI=1S/C18H20FN3O3S/c1-2-26(24,25)22-11-3-4-13-12-16(9-10-17(13)22)21-18(23)20-15-7-5-14(19)6-8-15/h5-10,12H,2-4,11H2,1H3,(H2,20,21,23)
InChIKeyDXEDYCBSCGKGGX-UHFFFAOYSA-N
XLogP3.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-fluorobenzamide
CID 27656132
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide
CID 27656011
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide
CID 110623308
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide
CID 110623309
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 27656111
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-methylphenyl)propanamide
CID 110303798
N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide
CID 27656182
2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7657751
2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 110623306
1-ethylsulfonyl-5-fluoro-2,3-dihydroindole
CID 110713992
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide
CID 71960941
6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline
CID 110714234

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea (CID 30374225) is 1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea is CCS(=O)(=O)N1CCCc2cc(NC(=O)Nc3ccc(F)cc3)ccc21.
What is the InChIKey of 1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea?
The InChIKey is DXEDYCBSCGKGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-2-26(24,25)22-11-3-4-13-12-16(9-10-17(13)22)21-18(23)20-15-7-5-14(19)6-8-15/h5-10,12H,2-4,11H2,1H3,(H2,20,21,23).
What are the key properties of 1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea?
1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea has a molecular weight of 377.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 30374225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).