6,7-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide

C26H33N3OS — CID 46100346

IUPAC6,7-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1cc2nc(-c3cccs3)cc(C(=O)NC3CC(C)(C)N(C)C(C)(C)C3)c2cc1C
InChIInChI=1S/C26H33N3OS/c1-16-11-19-20(13-22(23-9-8-10-31-23)28-21(19)12-17(16)2)24(30)27-18-14-25(3,4)29(7)26(5,6)15-18/h8-13,18H,14-15H2,1-7H3,(H,27,30)
InChIKeyPXROGLHGGFDJOY-UHFFFAOYSA-N
MW435.64 g/mol
LogP5.96
Rot. Bonds3

About 6,7-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide

6,7-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 46100346) has the molecular formula C26H33N3OS and a molecular weight of 435.64 g/mol. Its IUPAC name is 6,7-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6,7-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID46100346
Molecular FormulaC26H33N3OS
Molecular Weight435.64 g/mol
Exact Mass435.23
IUPAC Name6,7-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1cc2nc(-c3cccs3)cc(C(=O)NC3CC(C)(C)N(C)C(C)(C)C3)c2cc1C
InChIInChI=1S/C26H33N3OS/c1-16-11-19-20(13-22(23-9-8-10-31-23)28-21(19)12-17(16)2)24(30)27-18-14-25(3,4)29(7)26(5,6)15-18/h8-13,18H,14-15H2,1-7H3,(H,27,30)
InChIKeyPXROGLHGGFDJOY-UHFFFAOYSA-N
XLogP5.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.64
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of 6,7-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 46100346) is 6,7-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 6,7-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for 6,7-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide is Cc1cc2nc(-c3cccs3)cc(C(=O)NC3CC(C)(C)N(C)C(C)(C)C3)c2cc1C.
What is the InChIKey of 6,7-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is PXROGLHGGFDJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3OS/c1-16-11-19-20(13-22(23-9-8-10-31-23)28-21(19)12-17(16)2)24(30)27-18-14-25(3,4)29(7)26(5,6)15-18/h8-13,18H,14-15H2,1-7H3,(H,27,30).
What are the key properties of 6,7-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
6,7-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 435.64 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 46100346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).