5-[2-[2-(8-methoxyquinolin-2-yl)ethyl]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C26H30N6O — CID 169375938

About 5-[2-[2-(8-methoxyquinolin-2-yl)ethyl]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-[2-[2-(8-methoxyquinolin-2-yl)ethyl]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169375938) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 5-[2-[2-(8-methoxyquinolin-2-yl)ethyl]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

• Compound Name: 5-[2-[2-(8-methoxyquinolin-2-yl)ethyl]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
• PubChem CID: 169375938
• Molecular Formula: C26H30N6O
• Molecular Weight: 442.57 g/mol
• Exact Mass: 442.25
• IUPAC Name: 5-[2-[2-(8-methoxyquinolin-2-yl)ethyl]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
• SMILES: COc1cccc2ccc(CCc3ccccc3N3C(N)=NC(N)=NC34CCCCC4)nc12
• InChI: InChI=1S/C26H30N6O/c1-33-22-11-7-9-19-13-15-20(29-23(19)22)14-12-18-8-3-4-10-21(18)32-25(28)30-24(27)31-26(32)16-5-2-6-17-26/h3-4,7-11,13,15H,2,5-6,12,14,16-17H2,1H3,(H4,27,28,30,31)
• InChIKey: GYNAXMYSVAITTI-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 102.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.57
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(8-methoxyquinolin-2-yl)ethyl]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

The IUPAC name of 5-[2-[2-(8-methoxyquinolin-2-yl)ethyl]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169375938) is 5-[2-[2-(8-methoxyquinolin-2-yl)ethyl]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

What is the SMILES notation for 5-[2-[2-(8-methoxyquinolin-2-yl)ethyl]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

The canonical SMILES for 5-[2-[2-(8-methoxyquinolin-2-yl)ethyl]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is COc1cccc2ccc(CCc3ccccc3N3C(N)=NC(N)=NC34CCCCC4)nc12.

What is the InChIKey of 5-[2-[2-(8-methoxyquinolin-2-yl)ethyl]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

The InChIKey is GYNAXMYSVAITTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-33-22-11-7-9-19-13-15-20(29-23(19)22)14-12-18-8-3-4-10-21(18)32-25(28)30-24(27)31-26(32)16-5-2-6-17-26/h3-4,7-11,13,15H,2,5-6,12,14,16-17H2,1H3,(H4,27,28,30,31).

What are the key properties of 5-[2-[2-(8-methoxyquinolin-2-yl)ethyl]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

5-[2-[2-(8-methoxyquinolin-2-yl)ethyl]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 442.57 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-(8-methoxyquinolin-2-yl)ethyl]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169375938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).