2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone

C25H22FN3O3S — CID 158824360

IUPAC2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1nc2ccccn2c1C(=O)Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2
InChIInChI=1S/C25H22FN3O3S/c1-17-25(28-13-3-2-6-24(28)27-17)23(30)16-18-7-8-19-5-4-14-29(22(19)15-18)33(31,32)21-11-9-20(26)10-12-21/h2-3,6-13,15H,4-5,14,16H2,1H3
InChIKeyIWGRMAQGDNMZJU-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.35
Rot. Bonds5

About 2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone

2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone (PubChem CID 158824360) has the molecular formula C25H22FN3O3S and a molecular weight of 463.53 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
PubChem CID158824360
Molecular FormulaC25H22FN3O3S
Molecular Weight463.53 g/mol
Exact Mass463.14
IUPAC Name2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1nc2ccccn2c1C(=O)Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2
InChIInChI=1S/C25H22FN3O3S/c1-17-25(28-13-3-2-6-24(28)27-17)23(30)16-18-7-8-19-5-4-14-29(22(19)15-18)33(31,32)21-11-9-20(26)10-12-21/h2-3,6-13,15H,4-5,14,16H2,1H3
InChIKeyIWGRMAQGDNMZJU-UHFFFAOYSA-N
XLogP4.35
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The IUPAC name of 2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone (CID 158824360) is 2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The canonical SMILES for 2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone is Cc1nc2ccccn2c1C(=O)Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2.
What is the InChIKey of 2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The InChIKey is IWGRMAQGDNMZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3S/c1-17-25(28-13-3-2-6-24(28)27-17)23(30)16-18-7-8-19-5-4-14-29(22(19)15-18)33(31,32)21-11-9-20(26)10-12-21/h2-3,6-13,15H,4-5,14,16H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone has a molecular weight of 463.53 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 158824360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).