6-methyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]thieno[2,3-b]quinoline-2-carboxamide

C26H34N4OS — CID 20966455

IUPAC6-methyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2nc3sc(C(=O)NCCCN4CCC(N5CCCCC5)CC4)cc3cc2c1
InChIInChI=1S/C26H34N4OS/c1-19-6-7-23-20(16-19)17-21-18-24(32-26(21)28-23)25(31)27-10-5-11-29-14-8-22(9-15-29)30-12-3-2-4-13-30/h6-7,16-18,22H,2-5,8-15H2,1H3,(H,27,31)
InChIKeyCAZLGSSILVTPGK-UHFFFAOYSA-N
MW450.65 g/mol
LogP4.83
Rot. Bonds6

About 6-methyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]thieno[2,3-b]quinoline-2-carboxamide

6-methyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 20966455) has the molecular formula C26H34N4OS and a molecular weight of 450.65 g/mol. Its IUPAC name is 6-methyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]thieno[2,3-b]quinoline-2-carboxamide
PubChem CID20966455
Molecular FormulaC26H34N4OS
Molecular Weight450.65 g/mol
Exact Mass450.25
IUPAC Name6-methyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2nc3sc(C(=O)NCCCN4CCC(N5CCCCC5)CC4)cc3cc2c1
InChIInChI=1S/C26H34N4OS/c1-19-6-7-23-20(16-19)17-21-18-24(32-26(21)28-23)25(31)27-10-5-11-29-14-8-22(9-15-29)30-12-3-2-4-13-30/h6-7,16-18,22H,2-5,8-15H2,1H3,(H,27,31)
InChIKeyCAZLGSSILVTPGK-UHFFFAOYSA-N
XLogP4.83
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.65
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-methyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 6-methyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]thieno[2,3-b]quinoline-2-carboxamide (CID 20966455) is 6-methyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 6-methyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]thieno[2,3-b]quinoline-2-carboxamide is Cc1ccc2nc3sc(C(=O)NCCCN4CCC(N5CCCCC5)CC4)cc3cc2c1.
What is the InChIKey of 6-methyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is CAZLGSSILVTPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4OS/c1-19-6-7-23-20(16-19)17-21-18-24(32-26(21)28-23)25(31)27-10-5-11-29-14-8-22(9-15-29)30-12-3-2-4-13-30/h6-7,16-18,22H,2-5,8-15H2,1H3,(H,27,31).
What are the key properties of 6-methyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]thieno[2,3-b]quinoline-2-carboxamide?
6-methyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 450.65 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 20966455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).