1-(3-fluoro-5-methylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline

C19H18FN3O2S — CID 126792397

IUPAC1-(3-fluoro-5-methylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline
SMILESCc1cc(F)cc(S(=O)(=O)N2CC(n3ccnc3)Cc3ccccc32)c1
InChIInChI=1S/C19H18FN3O2S/c1-14-8-16(20)11-18(9-14)26(24,25)23-12-17(22-7-6-21-13-22)10-15-4-2-3-5-19(15)23/h2-9,11,13,17H,10,12H2,1H3
InChIKeyDIISQPJQQPVCIK-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.32
Rot. Bonds3

About 1-(3-fluoro-5-methylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline

1-(3-fluoro-5-methylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline (PubChem CID 126792397) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline
PubChem CID126792397
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name1-(3-fluoro-5-methylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline
SMILESCc1cc(F)cc(S(=O)(=O)N2CC(n3ccnc3)Cc3ccccc32)c1
InChIInChI=1S/C19H18FN3O2S/c1-14-8-16(20)11-18(9-14)26(24,25)23-12-17(22-7-6-21-13-22)10-15-4-2-3-5-19(15)23/h2-9,11,13,17H,10,12H2,1H3
InChIKeyDIISQPJQQPVCIK-UHFFFAOYSA-N
XLogP3.32
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline (CID 126792397) is 1-(3-fluoro-5-methylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline is Cc1cc(F)cc(S(=O)(=O)N2CC(n3ccnc3)Cc3ccccc32)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline?
The InChIKey is DIISQPJQQPVCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-14-8-16(20)11-18(9-14)26(24,25)23-12-17(22-7-6-21-13-22)10-15-4-2-3-5-19(15)23/h2-9,11,13,17H,10,12H2,1H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline?
1-(3-fluoro-5-methylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline has a molecular weight of 371.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 126792397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).