[6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone

C22H24N2O6S — CID 20944994

IUPAC[6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1COc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2O1)N1CCOCC1
InChIInChI=1S/C22H24N2O6S/c25-22(23-10-12-28-13-11-23)21-15-29-20-14-17(7-8-19(20)30-21)31(26,27)24-9-3-5-16-4-1-2-6-18(16)24/h1-2,4,6-8,14,21H,3,5,9-13,15H2
InChIKeyBHJRLTBWEXWAMC-UHFFFAOYSA-N
MW444.51 g/mol
LogP1.83
Rot. Bonds3

About [6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone

[6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone (PubChem CID 20944994) has the molecular formula C22H24N2O6S and a molecular weight of 444.51 g/mol. Its IUPAC name is [6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone
PubChem CID20944994
Molecular FormulaC22H24N2O6S
Molecular Weight444.51 g/mol
Exact Mass444.14
IUPAC Name[6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1COc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2O1)N1CCOCC1
InChIInChI=1S/C22H24N2O6S/c25-22(23-10-12-28-13-11-23)21-15-29-20-14-17(7-8-19(20)30-21)31(26,27)24-9-3-5-16-4-1-2-6-18(16)24/h1-2,4,6-8,14,21H,3,5,9-13,15H2
InChIKeyBHJRLTBWEXWAMC-UHFFFAOYSA-N
XLogP1.83
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone
CID 20945012
N-[4-[[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]sulfonylamino]phenyl]acetamide
CID 46339453
[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 41105049
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778831
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778829
2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone
CID 2999350
N-(3-acetylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20945001
N-(4-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20944984
[(2R)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 41077395
N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20944979
N-(1,3-benzodioxol-5-ylmethyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20944993
6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one
CID 19260005

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone (CID 20944994) is [6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone is O=C(C1COc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2O1)N1CCOCC1.
What is the InChIKey of [6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is BHJRLTBWEXWAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S/c25-22(23-10-12-28-13-11-23)21-15-29-20-14-17(7-8-19(20)30-21)31(26,27)24-9-3-5-16-4-1-2-6-18(16)24/h1-2,4,6-8,14,21H,3,5,9-13,15H2.
What are the key properties of [6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone?
[6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 444.51 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 20944994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).