6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one

C22H23N3O6S — CID 19260005

IUPAC6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21)N1CCOCC1
InChIInChI=1S/C22H23N3O6S/c26-21(23-10-12-30-13-11-23)15-24-19-8-7-17(14-20(19)31-22(24)27)32(28,29)25-9-3-5-16-4-1-2-6-18(16)25/h1-2,4,6-8,14H,3,5,9-13,15H2
InChIKeyLDHSQUJHEOXWQO-UHFFFAOYSA-N
MW457.51 g/mol
LogP1.59
Rot. Bonds4

About 6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one

6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one (PubChem CID 19260005) has the molecular formula C22H23N3O6S and a molecular weight of 457.51 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one
PubChem CID19260005
Molecular FormulaC22H23N3O6S
Molecular Weight457.51 g/mol
Exact Mass457.13
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21)N1CCOCC1
InChIInChI=1S/C22H23N3O6S/c26-21(23-10-12-30-13-11-23)15-24-19-8-7-17(14-20(19)31-22(24)27)32(28,29)25-9-3-5-16-4-1-2-6-18(16)25/h1-2,4,6-8,14H,3,5,9-13,15H2
InChIKeyLDHSQUJHEOXWQO-UHFFFAOYSA-N
XLogP1.59
TPSA102.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one with MolForge

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Related Compounds

6-(2,3-dihydroindol-1-ylsulfonyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 20879637
3-(2-morpholin-4-yl-2-oxoethyl)-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 19259995
propyl 2-[6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53052002
6-(azepan-1-ylsulfonyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 23603554
3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
CID 53298160
6-(azepan-1-ylsulfonyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
CID 19260010
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 20879533
[6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone
CID 20944994
N,N-dimethyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 19259985
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 20879615
N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide
CID 20879564
3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
CID 19259782

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one (CID 19260005) is 6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one is O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21)N1CCOCC1.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one?
The InChIKey is LDHSQUJHEOXWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6S/c26-21(23-10-12-30-13-11-23)15-24-19-8-7-17(14-20(19)31-22(24)27)32(28,29)25-9-3-5-16-4-1-2-6-18(16)25/h1-2,4,6-8,14H,3,5,9-13,15H2.
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one?
6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one has a molecular weight of 457.51 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 19260005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).