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

C24H16F2N6O — CID 87097787

IUPAC[8-(3,5-difluorophenyl)-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
SMILESCOc1ccc(-n2/c(=N/C#N)n(C)c3cnc4ccc(-c5cc(F)cc(F)c5)cc4c32)cn1
InChIInChI=1S/C24H16F2N6O/c1-31-21-12-28-20-5-3-14(15-7-16(25)10-17(26)8-15)9-19(20)23(21)32(24(31)30-13-27)18-4-6-22(33-2)29-11-18/h3-12H,1-2H3/b30-24+
InChIKeyIOJMYUVDHFSJAV-BGABXYSRSA-N
MW442.43 g/mol
LogP4.25
Rot. Bonds3

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

[8-(3,5-difluorophenyl)-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide (PubChem CID 87097787) has the molecular formula C24H16F2N6O and a molecular weight of 442.43 g/mol. Its IUPAC name is [8-(3,5-difluorophenyl)-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide.

Molecular Properties

Compound Name[8-(3,5-difluorophenyl)-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
PubChem CID87097787
Molecular FormulaC24H16F2N6O
Molecular Weight442.43 g/mol
Exact Mass442.14
IUPAC Name[8-(3,5-difluorophenyl)-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
SMILESCOc1ccc(-n2/c(=N/C#N)n(C)c3cnc4ccc(-c5cc(F)cc(F)c5)cc4c32)cn1
InChIInChI=1S/C24H16F2N6O/c1-31-21-12-28-20-5-3-14(15-7-16(25)10-17(26)8-15)9-19(20)23(21)32(24(31)30-13-27)18-4-6-22(33-2)29-11-18/h3-12H,1-2H3/b30-24+
InChIKeyIOJMYUVDHFSJAV-BGABXYSRSA-N
XLogP4.25
TPSA81.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 54.25
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

[1-(6-methoxy-3-pyridinyl)-3-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 56599113
[8-bromo-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 86683441
[8-(2-chlorophenyl)-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 56597194
[8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 87097555
[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 56598039
[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
8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 57344810
[1-(2,4-dimethoxyphenyl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 56598041
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
1-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]cyclopropane-1-carbonitrile;4-methylbenzenesulfonic acid
CID 87185153
2-[5-[8-(5-fluoro-2-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]-2-methylpropanenitrile
CID 57345102
8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-pyrazol-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
CID 11977654

Frequently Asked Questions

What is the IUPAC name of [8-(3,5-difluorophenyl)-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide?
The IUPAC name of [8-(3,5-difluorophenyl)-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide (CID 87097787) is [8-(3,5-difluorophenyl)-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide.
What is the SMILES notation for [8-(3,5-difluorophenyl)-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide?
The canonical SMILES for [8-(3,5-difluorophenyl)-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(F)cc(F)c5)cc4c32)cn1.
What is the InChIKey of [8-(3,5-difluorophenyl)-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide?
The InChIKey is IOJMYUVDHFSJAV-BGABXYSRSA-N. The full InChI is InChI=1S/C24H16F2N6O/c1-31-21-12-28-20-5-3-14(15-7-16(25)10-17(26)8-15)9-19(20)23(21)32(24(31)30-13-27)18-4-6-22(33-2)29-11-18/h3-12H,1-2H3/b30-24+.
What are the key properties of [8-(3,5-difluorophenyl)-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide?
[8-(3,5-difluorophenyl)-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide has a molecular weight of 442.43 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3,5-difluorophenyl)-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide is sourced from PubChem (CID 87097787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).