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

C18H13BrN6O — CID 86683441

IUPAC[8-bromo-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
SMILESCOc1ccc(-n2/c(=N/C#N)n(C)c3cnc4ccc(Br)cc4c32)cn1
InChIInChI=1S/C18H13BrN6O/c1-24-15-9-21-14-5-3-11(19)7-13(14)17(15)25(18(24)23-10-20)12-4-6-16(26-2)22-8-12/h3-9H,1-2H3/b23-18+
InChIKeyXBWXNRADGJCOEQ-PTGBLXJZSA-N
MW409.25 g/mol
LogP3.07
Rot. Bonds2

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

[8-bromo-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide (PubChem CID 86683441) has the molecular formula C18H13BrN6O and a molecular weight of 409.25 g/mol. Its IUPAC name is [8-bromo-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide.

Molecular Properties

Compound Name[8-bromo-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
PubChem CID86683441
Molecular FormulaC18H13BrN6O
Molecular Weight409.25 g/mol
Exact Mass408.03
IUPAC Name[8-bromo-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
SMILESCOc1ccc(-n2/c(=N/C#N)n(C)c3cnc4ccc(Br)cc4c32)cn1
InChIInChI=1S/C18H13BrN6O/c1-24-15-9-21-14-5-3-11(19)7-13(14)17(15)25(18(24)23-10-20)12-4-6-16(26-2)22-8-12/h3-9H,1-2H3/b23-18+
InChIKeyXBWXNRADGJCOEQ-PTGBLXJZSA-N
XLogP3.07
TPSA81.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.25
LogP ≤ 53.07
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-(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
[1-(6-methoxy-3-pyridinyl)-3-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 56599113
[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
[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
8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 57344810
8-bromo-1-(4-butan-2-ylphenyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 144631239
8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619976
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

Frequently Asked Questions

What is the IUPAC name of [8-bromo-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide?
The IUPAC name of [8-bromo-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide (CID 86683441) is [8-bromo-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide.
What is the SMILES notation for [8-bromo-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide?
The canonical SMILES for [8-bromo-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide is COc1ccc(-n2/c(=N/C#N)n(C)c3cnc4ccc(Br)cc4c32)cn1.
What is the InChIKey of [8-bromo-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide?
The InChIKey is XBWXNRADGJCOEQ-PTGBLXJZSA-N. The full InChI is InChI=1S/C18H13BrN6O/c1-24-15-9-21-14-5-3-11(19)7-13(14)17(15)25(18(24)23-10-20)12-4-6-16(26-2)22-8-12/h3-9H,1-2H3/b23-18+.
What are the key properties of [8-bromo-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide?
[8-bromo-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide has a molecular weight of 409.25 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-bromo-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide is sourced from PubChem (CID 86683441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).