methyl 3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]imidazole-4-carboxylate

C20H18FN3O4S — CID 59277714

IUPACmethyl 3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]imidazole-4-carboxylate
SMILESCOC(=O)c1cncn1C1CCN(S(=O)(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C20H18FN3O4S/c1-28-20(25)19-12-22-13-23(19)17-10-11-24(18-5-3-2-4-16(17)18)29(26,27)15-8-6-14(21)7-9-15/h2-9,12-13,17H,10-11H2,1H3
InChIKeyFKFMAIOFZQNVQF-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.00
Rot. Bonds4

About methyl 3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]imidazole-4-carboxylate

methyl 3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]imidazole-4-carboxylate (PubChem CID 59277714) has the molecular formula C20H18FN3O4S and a molecular weight of 415.45 g/mol. Its IUPAC name is methyl 3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]imidazole-4-carboxylate
PubChem CID59277714
Molecular FormulaC20H18FN3O4S
Molecular Weight415.45 g/mol
Exact Mass415.10
IUPAC Namemethyl 3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]imidazole-4-carboxylate
SMILESCOC(=O)c1cncn1C1CCN(S(=O)(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C20H18FN3O4S/c1-28-20(25)19-12-22-13-23(19)17-10-11-24(18-5-3-2-4-16(17)18)29(26,27)15-8-6-14(21)7-9-15/h2-9,12-13,17H,10-11H2,1H3
InChIKeyFKFMAIOFZQNVQF-UHFFFAOYSA-N
XLogP3.00
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]imidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 60534669
methyl 3-(2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)imidazole-4-carboxylate
CID 23050708
1-cyclopropyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydroquinoxaline
CID 110715217
3-[(1S)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxylic acid
CID 129410334
methyl 3-[[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]sulfonyl]benzoate
CID 175307114
methyl 3-[(1S)-4-hydroxy-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]imidazole-4-carboxylate
CID 143701798
methyl 2-[[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]sulfamoyl]benzoate
CID 141486298
1-[4-(2-methylpropanoyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 136551716
methyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]phenyl]acetate
CID 170984965
1-[(1S,2aS,8bS)-4-(4-fluorophenyl)sulfonyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]propan-1-one
CID 54653533
(1aR)-4-(4-methylphenyl)sulfonyl-1a,2,3,8b-tetrahydrooxireno[2,3-d][1]benzazepine
CID 89273802
methyl 1-[1-(benzenesulfonyl)piperidin-4-yl]pyrrole-2-carboxylate
CID 51107428

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]imidazole-4-carboxylate?
The IUPAC name of methyl 3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]imidazole-4-carboxylate (CID 59277714) is methyl 3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]imidazole-4-carboxylate?
The canonical SMILES for methyl 3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]imidazole-4-carboxylate is COC(=O)c1cncn1C1CCN(S(=O)(=O)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of methyl 3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]imidazole-4-carboxylate?
The InChIKey is FKFMAIOFZQNVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4S/c1-28-20(25)19-12-22-13-23(19)17-10-11-24(18-5-3-2-4-16(17)18)29(26,27)15-8-6-14(21)7-9-15/h2-9,12-13,17H,10-11H2,1H3.
What are the key properties of methyl 3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]imidazole-4-carboxylate?
methyl 3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]imidazole-4-carboxylate has a molecular weight of 415.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]imidazole-4-carboxylate is sourced from PubChem (CID 59277714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).