N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;cyclohepta-1,3,5-triene

C25H29N3OS — CID 143292866

About N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;cyclohepta-1,3,5-triene

N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;cyclohepta-1,3,5-triene (PubChem CID 143292866) has the molecular formula C25H29N3OS and a molecular weight of 419.59 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;cyclohepta-1,3,5-triene.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;cyclohepta-1,3,5-triene
• PubChem CID: 143292866
• Molecular Formula: C25H29N3OS
• Molecular Weight: 419.59 g/mol
• Exact Mass: 419.20
• IUPAC Name: N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;cyclohepta-1,3,5-triene
• SMILES: C1=CC=CCC=C1.CC(C)(C)c1ccc2nc3sc(C(=O)NCCN)cc3cc2c1
• InChI: InChI=1S/C18H21N3OS.C7H8/c1-18(2,3)13-4-5-14-11(9-13)8-12-10-15(23-17(12)21-14)16(22)20-7-6-19;1-2-4-6-7-5-3-1/h4-5,8-10H,6-7,19H2,1-3H3,(H,20,22);1-6H,7H2
• InChIKey: MHNHJLPJTPJDOR-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 68.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.59
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;cyclohepta-1,3,5-triene?

The IUPAC name of N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;cyclohepta-1,3,5-triene (CID 143292866) is N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;cyclohepta-1,3,5-triene.

What is the SMILES notation for N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;cyclohepta-1,3,5-triene?

The canonical SMILES for N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;cyclohepta-1,3,5-triene is C1=CC=CCC=C1.CC(C)(C)c1ccc2nc3sc(C(=O)NCCN)cc3cc2c1.

What is the InChIKey of N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;cyclohepta-1,3,5-triene?

The InChIKey is MHNHJLPJTPJDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS.C7H8/c1-18(2,3)13-4-5-14-11(9-13)8-12-10-15(23-17(12)21-14)16(22)20-7-6-19;1-2-4-6-7-5-3-1/h4-5,8-10H,6-7,19H2,1-3H3,(H,20,22);1-6H,7H2.

What are the key properties of N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;cyclohepta-1,3,5-triene?

N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;cyclohepta-1,3,5-triene has a molecular weight of 419.59 g/mol, XLogP of 5.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;cyclohepta-1,3,5-triene is sourced from PubChem (CID 143292866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).