3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone

C20H21FN2O4S — CID 2352857

IUPAC3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCCc2ccccc21
InChIInChI=1S/C20H21FN2O4S/c21-18-8-7-16(28(25,26)22-10-12-27-13-11-22)14-17(18)20(24)23-9-3-5-15-4-1-2-6-19(15)23/h1-2,4,6-8,14H,3,5,9-13H2
InChIKeyDAHWRWPUORPPFK-UHFFFAOYSA-N
MW404.46 g/mol
LogP2.44
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone

3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 2352857) has the molecular formula C20H21FN2O4S and a molecular weight of 404.46 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID2352857
Molecular FormulaC20H21FN2O4S
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCCc2ccccc21
InChIInChI=1S/C20H21FN2O4S/c21-18-8-7-16(28(25,26)22-10-12-27-13-11-22)14-17(18)20(24)23-9-3-5-15-4-1-2-6-19(15)23/h1-2,4,6-8,14H,3,5,9-13H2
InChIKeyDAHWRWPUORPPFK-UHFFFAOYSA-N
XLogP2.44
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 2531136
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530525
2,3-dihydroindol-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 2334784
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361
(2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17421426
(2-fluoro-5-sulfanylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 107031389
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-morpholin-4-ylsulfonylpyridin-2-one
CID 53170655
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 55661323
3-(2,3-dihydroindole-1-carbonyl)-4-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 31886530
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2546782
(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 736346
cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 32651804

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone (CID 2352857) is 3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone is O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is DAHWRWPUORPPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4S/c21-18-8-7-16(28(25,26)22-10-12-27-13-11-22)14-17(18)20(24)23-9-3-5-15-4-1-2-6-19(15)23/h1-2,4,6-8,14H,3,5,9-13H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 404.46 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 2352857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).