1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone

C22H27N3O2S — CID 55915644

IUPAC1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C(=O)N2CCN(CC(=O)N3c4ccccc4CCC3C)CC2)s1
InChIInChI=1S/C22H27N3O2S/c1-16-7-9-18-5-3-4-6-19(18)25(16)21(26)15-23-11-13-24(14-12-23)22(27)20-10-8-17(2)28-20/h3-6,8,10,16H,7,9,11-15H2,1-2H3
InChIKeyAHQFFNHLAYDQDZ-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.18
Rot. Bonds3

About 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone

1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 55915644) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID55915644
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C(=O)N2CCN(CC(=O)N3c4ccccc4CCC3C)CC2)s1
InChIInChI=1S/C22H27N3O2S/c1-16-7-9-18-5-3-4-6-19(18)25(16)21(26)15-23-11-13-24(14-12-23)22(27)20-10-8-17(2)28-20/h3-6,8,10,16H,7,9,11-15H2,1-2H3
InChIKeyAHQFFNHLAYDQDZ-UHFFFAOYSA-N
XLogP3.18
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 55915644) is 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone is Cc1ccc(C(=O)N2CCN(CC(=O)N3c4ccccc4CCC3C)CC2)s1.
What is the InChIKey of 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is AHQFFNHLAYDQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-16-7-9-18-5-3-4-6-19(18)25(16)21(26)15-23-11-13-24(14-12-23)22(27)20-10-8-17(2)28-20/h3-6,8,10,16H,7,9,11-15H2,1-2H3.
What are the key properties of 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone?
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 397.54 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55915644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).