(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)hydrazine;bis(2,2,2-trifluoroacetic acid)

C25H25F6N5O4 — CID 46831373

About (1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)hydrazine;bis(2,2,2-trifluoroacetic acid)

(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)hydrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 46831373) has the molecular formula C25H25F6N5O4 and a molecular weight of 573.49 g/mol. Its IUPAC name is (1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)hydrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: (1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)hydrazine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 46831373
• Molecular Formula: C25H25F6N5O4
• Molecular Weight: 573.49 g/mol
• Exact Mass: 573.18
• IUPAC Name: (1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)hydrazine;bis(2,2,2-trifluoroacetic acid)
• SMILES: CCCCc1nc2c(NN)nc3ccccc3c2n1Cc1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H23N5.2C2HF3O2/c1-2-3-13-18-24-19-20(26(18)14-15-9-5-4-6-10-15)16-11-7-8-12-17(16)23-21(19)25-22;2*3-2(4,5)1(6)7/h4-12H,2-3,13-14,22H2,1H3,(H,23,25);2*(H,6,7)
• InChIKey: GYHUUHMXLRQMPT-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 143.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.49
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)hydrazine;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of (1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)hydrazine;bis(2,2,2-trifluoroacetic acid) (CID 46831373) is (1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)hydrazine;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for (1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)hydrazine;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for (1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)hydrazine;bis(2,2,2-trifluoroacetic acid) is CCCCc1nc2c(NN)nc3ccccc3c2n1Cc1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of (1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)hydrazine;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is GYHUUHMXLRQMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5.2C2HF3O2/c1-2-3-13-18-24-19-20(26(18)14-15-9-5-4-6-10-15)16-11-7-8-12-17(16)23-21(19)25-22;2*3-2(4,5)1(6)7/h4-12H,2-3,13-14,22H2,1H3,(H,23,25);2*(H,6,7).

What are the key properties of (1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)hydrazine;bis(2,2,2-trifluoroacetic acid)?

(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)hydrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 573.49 g/mol, XLogP of 5.53, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)hydrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 46831373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).