[8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide

C25H16F4N6O — CID 87097555

IUPAC[8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
SMILESCOc1ccc(-n2/c(=N/C#N)n(C)c3cnc4ccc(-c5cc(C(F)(F)F)ccc5F)cc4c32)cn1
InChIInChI=1S/C25H16F4N6O/c1-34-21-12-31-20-7-3-14(17-10-15(25(27,28)29)4-6-19(17)26)9-18(20)23(21)35(24(34)33-13-30)16-5-8-22(36-2)32-11-16/h3-12H,1-2H3/b33-24+
InChIKeyZZNUHZDOCNYMAM-IWBSIUBASA-N
MW492.44 g/mol
LogP5.13
Rot. Bonds3

About [8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide

[8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide (PubChem CID 87097555) has the molecular formula C25H16F4N6O and a molecular weight of 492.44 g/mol. Its IUPAC name is [8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide.

Molecular Properties

Compound Name[8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
PubChem CID87097555
Molecular FormulaC25H16F4N6O
Molecular Weight492.44 g/mol
Exact Mass492.13
IUPAC Name[8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
SMILESCOc1ccc(-n2/c(=N/C#N)n(C)c3cnc4ccc(-c5cc(C(F)(F)F)ccc5F)cc4c32)cn1
InChIInChI=1S/C25H16F4N6O/c1-34-21-12-31-20-7-3-14(17-10-15(25(27,28)29)4-6-19(17)26)9-18(20)23(21)35(24(34)33-13-30)16-5-8-22(36-2)32-11-16/h3-12H,1-2H3/b33-24+
InChIKeyZZNUHZDOCNYMAM-IWBSIUBASA-N
XLogP5.13
TPSA81.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.44
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze [8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide?
The IUPAC name of [8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide (CID 87097555) is [8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide.
What is the SMILES notation for [8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide?
The canonical SMILES for [8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide is COc1ccc(-n2/c(=N/C#N)n(C)c3cnc4ccc(-c5cc(C(F)(F)F)ccc5F)cc4c32)cn1.
What is the InChIKey of [8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide?
The InChIKey is ZZNUHZDOCNYMAM-IWBSIUBASA-N. The full InChI is InChI=1S/C25H16F4N6O/c1-34-21-12-31-20-7-3-14(17-10-15(25(27,28)29)4-6-19(17)26)9-18(20)23(21)35(24(34)33-13-30)16-5-8-22(36-2)32-11-16/h3-12H,1-2H3/b33-24+.
What are the key properties of [8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide?
[8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide has a molecular weight of 492.44 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide is sourced from PubChem (CID 87097555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).