2-[(1-methylquinolin-2-ylidene)methyl]-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuta-1,3-diene-1,3-diol

C27H26N2O2 — CID 89242253

About 2-[(1-methylquinolin-2-ylidene)methyl]-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuta-1,3-diene-1,3-diol

2-[(1-methylquinolin-2-ylidene)methyl]-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuta-1,3-diene-1,3-diol (PubChem CID 89242253) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[(1-methylquinolin-2-ylidene)methyl]-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuta-1,3-diene-1,3-diol.

Molecular Properties

• Compound Name: 2-[(1-methylquinolin-2-ylidene)methyl]-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuta-1,3-diene-1,3-diol
• PubChem CID: 89242253
• Molecular Formula: C27H26N2O2
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.20
• IUPAC Name: 2-[(1-methylquinolin-2-ylidene)methyl]-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuta-1,3-diene-1,3-diol
• SMILES: CN1C(=CC2=C(O)C(C=C3N(C)c4ccccc4C3(C)C)=C2O)C=Cc2ccccc21
• InChI: InChI=1S/C27H26N2O2/c1-27(2)21-10-6-8-12-23(21)29(4)24(27)16-20-25(30)19(26(20)31)15-18-14-13-17-9-5-7-11-22(17)28(18)3/h5-16,30-31H,1-4H3
• InChIKey: XDXQANUBFWJVAM-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 46.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylquinolin-2-ylidene)methyl]-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuta-1,3-diene-1,3-diol?

The IUPAC name of 2-[(1-methylquinolin-2-ylidene)methyl]-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuta-1,3-diene-1,3-diol (CID 89242253) is 2-[(1-methylquinolin-2-ylidene)methyl]-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuta-1,3-diene-1,3-diol.

What is the SMILES notation for 2-[(1-methylquinolin-2-ylidene)methyl]-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuta-1,3-diene-1,3-diol?

The canonical SMILES for 2-[(1-methylquinolin-2-ylidene)methyl]-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuta-1,3-diene-1,3-diol is CN1C(=CC2=C(O)C(C=C3N(C)c4ccccc4C3(C)C)=C2O)C=Cc2ccccc21.

What is the InChIKey of 2-[(1-methylquinolin-2-ylidene)methyl]-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuta-1,3-diene-1,3-diol?

The InChIKey is XDXQANUBFWJVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-27(2)21-10-6-8-12-23(21)29(4)24(27)16-20-25(30)19(26(20)31)15-18-14-13-17-9-5-7-11-22(17)28(18)3/h5-16,30-31H,1-4H3.

What are the key properties of 2-[(1-methylquinolin-2-ylidene)methyl]-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuta-1,3-diene-1,3-diol?

2-[(1-methylquinolin-2-ylidene)methyl]-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuta-1,3-diene-1,3-diol has a molecular weight of 410.52 g/mol, XLogP of 5.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1-methylquinolin-2-ylidene)methyl]-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuta-1,3-diene-1,3-diol is sourced from PubChem (CID 89242253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).