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

C25H17F3N6O — CID 56599113

IUPAC[1-(6-methoxy-3-pyridinyl)-3-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide
SMILESCOc1ccc(-n2/c(=N/C#N)n(C)c3cnc4ccc(-c5cccc(C(F)(F)F)c5)cc4c32)cn1
InChIInChI=1S/C25H17F3N6O/c1-33-21-13-30-20-8-6-16(15-4-3-5-17(10-15)25(26,27)28)11-19(20)23(21)34(24(33)32-14-29)18-7-9-22(35-2)31-12-18/h3-13H,1-2H3/b32-24+
InChIKeyMAPKYDSQRSLUEF-FEZSWGLMSA-N
MW474.45 g/mol
LogP4.99
Rot. Bonds3

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

[1-(6-methoxy-3-pyridinyl)-3-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide (PubChem CID 56599113) has the molecular formula C25H17F3N6O and a molecular weight of 474.45 g/mol. Its IUPAC name is [1-(6-methoxy-3-pyridinyl)-3-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide.

Molecular Properties

Compound Name[1-(6-methoxy-3-pyridinyl)-3-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide
PubChem CID56599113
Molecular FormulaC25H17F3N6O
Molecular Weight474.45 g/mol
Exact Mass474.14
IUPAC Name[1-(6-methoxy-3-pyridinyl)-3-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide
SMILESCOc1ccc(-n2/c(=N/C#N)n(C)c3cnc4ccc(-c5cccc(C(F)(F)F)c5)cc4c32)cn1
InChIInChI=1S/C25H17F3N6O/c1-33-21-13-30-20-8-6-16(15-4-3-5-17(10-15)25(26,27)28)11-19(20)23(21)34(24(33)32-14-29)18-7-9-22(35-2)31-12-18/h3-13H,1-2H3/b32-24+
InChIKeyMAPKYDSQRSLUEF-FEZSWGLMSA-N
XLogP4.99
TPSA81.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.45
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 87097555
[8-(3,5-difluorophenyl)-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 87097787
[8-(2-chlorophenyl)-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 56597194
[8-bromo-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 86683441
[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 56598039
8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 57344810
4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 127048030
[1-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 56599117
[1-(2,4-dimethoxyphenyl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 56598041
8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-pyrazol-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
CID 11977654
4-[2-cyanoimino-1-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 87097721
3-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-cyanoimino-3-methylimidazo[4,5-c]quinolin-1-yl]phenyl]-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylic acid
CID 90422673

Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxy-3-pyridinyl)-3-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide?
The IUPAC name of [1-(6-methoxy-3-pyridinyl)-3-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide (CID 56599113) is [1-(6-methoxy-3-pyridinyl)-3-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide.
What is the SMILES notation for [1-(6-methoxy-3-pyridinyl)-3-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide?
The canonical SMILES for [1-(6-methoxy-3-pyridinyl)-3-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide is COc1ccc(-n2/c(=N/C#N)n(C)c3cnc4ccc(-c5cccc(C(F)(F)F)c5)cc4c32)cn1.
What is the InChIKey of [1-(6-methoxy-3-pyridinyl)-3-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide?
The InChIKey is MAPKYDSQRSLUEF-FEZSWGLMSA-N. The full InChI is InChI=1S/C25H17F3N6O/c1-33-21-13-30-20-8-6-16(15-4-3-5-17(10-15)25(26,27)28)11-19(20)23(21)34(24(33)32-14-29)18-7-9-22(35-2)31-12-18/h3-13H,1-2H3/b32-24+.
What are the key properties of [1-(6-methoxy-3-pyridinyl)-3-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide?
[1-(6-methoxy-3-pyridinyl)-3-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide has a molecular weight of 474.45 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxy-3-pyridinyl)-3-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide is sourced from PubChem (CID 56599113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).