1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone

C22H25N5O5S — CID 24581806

IUPAC1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone
SMILESCC1CCc2ccccc2N1C(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C22H25N5O5S/c1-16-6-7-17-4-2-3-5-20(17)26(16)22(28)15-32-27-21-14-18(8-9-19(21)23-24-27)33(29,30)25-10-12-31-13-11-25/h2-5,8-9,14,16H,6-7,10-13,15H2,1H3
InChIKeyBWEGGYNNUPAJTD-UHFFFAOYSA-N
MW471.54 g/mol
LogP1.25
Rot. Bonds5

About 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone

1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone (PubChem CID 24581806) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone.

Molecular Properties

Compound Name1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone
PubChem CID24581806
Molecular FormulaC22H25N5O5S
Molecular Weight471.54 g/mol
Exact Mass471.16
IUPAC Name1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone
SMILESCC1CCc2ccccc2N1C(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C22H25N5O5S/c1-16-6-7-17-4-2-3-5-20(17)26(16)22(28)15-32-27-21-14-18(8-9-19(21)23-24-27)33(29,30)25-10-12-31-13-11-25/h2-5,8-9,14,16H,6-7,10-13,15H2,1H3
InChIKeyBWEGGYNNUPAJTD-UHFFFAOYSA-N
XLogP1.25
TPSA106.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide
CID 42969787
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2372444
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9331117
N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide
CID 24581799
2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide
CID 24581801
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 24581802
3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
CID 53298160
N-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide
CID 24512070
N-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
CID 7714347
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2546782
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112766000
4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine
CID 55626704

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone?
The IUPAC name of 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone (CID 24581806) is 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone.
What is the SMILES notation for 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone?
The canonical SMILES for 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone is CC1CCc2ccccc2N1C(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone?
The InChIKey is BWEGGYNNUPAJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5S/c1-16-6-7-17-4-2-3-5-20(17)26(16)22(28)15-32-27-21-14-18(8-9-19(21)23-24-27)33(29,30)25-10-12-31-13-11-25/h2-5,8-9,14,16H,6-7,10-13,15H2,1H3.
What are the key properties of 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone?
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone has a molecular weight of 471.54 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone is sourced from PubChem (CID 24581806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).