2-[benzyl(methyl)amino]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide

C22H27N3O — CID 750265

IUPAC2-[benzyl(methyl)amino]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide
SMILESCN(CC(=O)Nc1c2c(nc3c1CCC3)CCCC2)Cc1ccccc1
InChIInChI=1S/C22H27N3O/c1-25(14-16-8-3-2-4-9-16)15-21(26)24-22-17-10-5-6-12-19(17)23-20-13-7-11-18(20)22/h2-4,8-9H,5-7,10-15H2,1H3,(H,23,24,26)
InChIKeyZAGQJHYGQSVDCV-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.52
Rot. Bonds5

About 2-[benzyl(methyl)amino]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide

2-[benzyl(methyl)amino]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide (PubChem CID 750265) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide
PubChem CID750265
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-[benzyl(methyl)amino]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide
SMILESCN(CC(=O)Nc1c2c(nc3c1CCC3)CCCC2)Cc1ccccc1
InChIInChI=1S/C22H27N3O/c1-25(14-16-8-3-2-4-9-16)15-21(26)24-22-17-10-5-6-12-19(17)23-20-13-7-11-18(20)22/h2-4,8-9H,5-7,10-15H2,1H3,(H,23,24,26)
InChIKeyZAGQJHYGQSVDCV-UHFFFAOYSA-N
XLogP3.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide (CID 750265) is 2-[benzyl(methyl)amino]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide is CN(CC(=O)Nc1c2c(nc3c1CCC3)CCCC2)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide?
The InChIKey is ZAGQJHYGQSVDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-25(14-16-8-3-2-4-9-16)15-21(26)24-22-17-10-5-6-12-19(17)23-20-13-7-11-18(20)22/h2-4,8-9H,5-7,10-15H2,1H3,(H,23,24,26).
What are the key properties of 2-[benzyl(methyl)amino]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide?
2-[benzyl(methyl)amino]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide has a molecular weight of 349.48 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide is sourced from PubChem (CID 750265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).