[7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone

C22H28N2O2S — CID 10452629

IUPAC[7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCc2ccc(OCCCN3CCCCC3)cc21
InChIInChI=1S/C22H28N2O2S/c25-22(21-8-5-16-27-21)24-14-4-7-18-9-10-19(17-20(18)24)26-15-6-13-23-11-2-1-3-12-23/h5,8-10,16-17H,1-4,6-7,11-15H2
InChIKeyBHVDLFSBNZEXBT-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.60
Rot. Bonds6

About [7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone

[7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone (PubChem CID 10452629) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is [7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
PubChem CID10452629
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name[7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCc2ccc(OCCCN3CCCCC3)cc21
InChIInChI=1S/C22H28N2O2S/c25-22(21-8-5-16-27-21)24-14-4-7-18-9-10-19(17-20(18)24)26-15-6-13-23-11-2-1-3-12-23/h5,8-10,16-17H,1-4,6-7,11-15H2
InChIKeyBHVDLFSBNZEXBT-UHFFFAOYSA-N
XLogP4.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone (CID 10452629) is [7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCCc2ccc(OCCCN3CCCCC3)cc21.
What is the InChIKey of [7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is BHVDLFSBNZEXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c25-22(21-8-5-16-27-21)24-14-4-7-18-9-10-19(17-20(18)24)26-15-6-13-23-11-2-1-3-12-23/h5,8-10,16-17H,1-4,6-7,11-15H2.
What are the key properties of [7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone?
[7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 384.55 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 10452629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).