2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C22H27N3O3S — CID 8593545

IUPAC2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc2c(c1)CCCN2CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C22H27N3O3S/c1-17-9-10-21-18(14-17)6-5-11-24(21)16-22(26)23-19-7-4-8-20(15-19)29(27,28)25-12-2-3-13-25/h4,7-10,14-15H,2-3,5-6,11-13,16H2,1H3,(H,23,26)
InChIKeyHHIOIWVVWORPEM-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.17
Rot. Bonds5

About 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 8593545) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID8593545
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc2c(c1)CCCN2CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C22H27N3O3S/c1-17-9-10-21-18(14-17)6-5-11-24(21)16-22(26)23-19-7-4-8-20(15-19)29(27,28)25-12-2-3-13-25/h4,7-10,14-15H,2-3,5-6,11-13,16H2,1H3,(H,23,26)
InChIKeyHHIOIWVVWORPEM-UHFFFAOYSA-N
XLogP3.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 8593545) is 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is Cc1ccc2c(c1)CCCN2CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is HHIOIWVVWORPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-17-9-10-21-18(14-17)6-5-11-24(21)16-22(26)23-19-7-4-8-20(15-19)29(27,28)25-12-2-3-13-25/h4,7-10,14-15H,2-3,5-6,11-13,16H2,1H3,(H,23,26).
What are the key properties of 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 413.54 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 8593545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).