2-phenoxy-1-[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one

C22H22N2O4S2 — CID 58182309

IUPAC2-phenoxy-1-[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCCc2cc(S(=O)(=O)Cc3nccs3)ccc21
InChIInChI=1S/C22H22N2O4S2/c1-16(28-18-7-3-2-4-8-18)22(25)24-12-5-6-17-14-19(9-10-20(17)24)30(26,27)15-21-23-11-13-29-21/h2-4,7-11,13-14,16H,5-6,12,15H2,1H3
InChIKeyLCHPXLXBPBLEKC-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.86
Rot. Bonds6

About 2-phenoxy-1-[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one

2-phenoxy-1-[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one (PubChem CID 58182309) has the molecular formula C22H22N2O4S2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-phenoxy-1-[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-phenoxy-1-[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
PubChem CID58182309
Molecular FormulaC22H22N2O4S2
Molecular Weight442.56 g/mol
Exact Mass442.10
IUPAC Name2-phenoxy-1-[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCCc2cc(S(=O)(=O)Cc3nccs3)ccc21
InChIInChI=1S/C22H22N2O4S2/c1-16(28-18-7-3-2-4-8-18)22(25)24-12-5-6-17-14-19(9-10-20(17)24)30(26,27)15-21-23-11-13-29-21/h2-4,7-11,13-14,16H,5-6,12,15H2,1H3
InChIKeyLCHPXLXBPBLEKC-UHFFFAOYSA-N
XLogP3.86
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 58182297
(2,5-difluorophenyl)-[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 58182325
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 18097880
6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinoline-1-carbaldehyde
CID 58182290
(2R)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 30257325
(2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one
CID 95157678
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 42998708
N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide
CID 133261924
(2R)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376112
(2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376111
2-chloro-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide;2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide
CID 158886490

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The IUPAC name of 2-phenoxy-1-[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one (CID 58182309) is 2-phenoxy-1-[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one.
What is the SMILES notation for 2-phenoxy-1-[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The canonical SMILES for 2-phenoxy-1-[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one is CC(Oc1ccccc1)C(=O)N1CCCc2cc(S(=O)(=O)Cc3nccs3)ccc21.
What is the InChIKey of 2-phenoxy-1-[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The InChIKey is LCHPXLXBPBLEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S2/c1-16(28-18-7-3-2-4-8-18)22(25)24-12-5-6-17-14-19(9-10-20(17)24)30(26,27)15-21-23-11-13-29-21/h2-4,7-11,13-14,16H,5-6,12,15H2,1H3.
What are the key properties of 2-phenoxy-1-[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
2-phenoxy-1-[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one has a molecular weight of 442.56 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one is sourced from PubChem (CID 58182309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).