2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide

C22H27N3O5S — CID 4966306

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C22H27N3O5S/c1-29-21-9-8-18(31(27,28)25-11-13-30-14-12-25)15-19(21)23-22(26)16-24-10-4-6-17-5-2-3-7-20(17)24/h2-3,5,7-9,15H,4,6,10-14,16H2,1H3,(H,23,26)
InChIKeySZMYLPRTAPENMN-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.11
Rot. Bonds6

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4966306) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4966306
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C22H27N3O5S/c1-29-21-9-8-18(31(27,28)25-11-13-30-14-12-25)15-19(21)23-22(26)16-24-10-4-6-17-5-2-3-7-20(17)24/h2-3,5,7-9,15H,4,6,10-14,16H2,1H3,(H,23,26)
InChIKeySZMYLPRTAPENMN-UHFFFAOYSA-N
XLogP2.11
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-Iodo-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-2,3-dihydroindole
CID 10413595
N-(5-iodo-2-methylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940101
7-bromo-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 17940125
4-methoxy-3-piperazin-1-yl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 17940224
N-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916033
3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916035
N,7-dimethyl-3-oxo-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 5295635
6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one
CID 4172058
2-[6-(Azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-YL]-N-benzyl-N-(propan-2-YL)acetamide
CID 16019762
N-{2-[4-(Methylsulfanyl)phenyl]ethyl}-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-YL]acetamide
CID 16008205
1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-2,2-dimethyl-3H-indole
CID 44369415
3-oxo-N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)phenoxy)piperidin-1-yl)ethyl)cyclohexyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonamide
CID 44435098

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 4966306) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is SZMYLPRTAPENMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-29-21-9-8-18(31(27,28)25-11-13-30-14-12-25)15-19(21)23-22(26)16-24-10-4-6-17-5-2-3-7-20(17)24/h2-3,5,7-9,15H,4,6,10-14,16H2,1H3,(H,23,26).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 445.54 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4966306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).