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

C21H24N2O5S — CID 2096063

IUPAC[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H24N2O5S/c1-27-19-9-8-17(21(24)22-11-13-28-14-12-22)15-20(19)29(25,26)23-10-4-6-16-5-2-3-7-18(16)23/h2-3,5,7-9,15H,4,6,10-14H2,1H3
InChIKeyUJSXUZLOZAVQFU-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.31
Rot. Bonds4

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

[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-morpholin-4-ylmethanone (PubChem CID 2096063) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-morpholin-4-ylmethanone
PubChem CID2096063
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H24N2O5S/c1-27-19-9-8-17(21(24)22-11-13-28-14-12-22)15-20(19)29(25,26)23-10-4-6-16-5-2-3-7-18(16)23/h2-3,5,7-9,15H,4,6,10-14H2,1H3
InChIKeyUJSXUZLOZAVQFU-UHFFFAOYSA-N
XLogP2.31
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-morpholin-4-ylmethanone (CID 2096063) is [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-morpholin-4-ylmethanone is COc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCCc2ccccc21.
What is the InChIKey of [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-morpholin-4-ylmethanone?
The InChIKey is UJSXUZLOZAVQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-27-19-9-8-17(21(24)22-11-13-28-14-12-22)15-20(19)29(25,26)23-10-4-6-16-5-2-3-7-18(16)23/h2-3,5,7-9,15H,4,6,10-14H2,1H3.
What are the key properties of [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-morpholin-4-ylmethanone?
[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-morpholin-4-ylmethanone has a molecular weight of 416.50 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2096063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).