1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone

C18H15N3O — CID 138733938

IUPAC1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(/C(C)=N/c2cccc3cccnc23)n1
InChIInChI=1S/C18H15N3O/c1-12(15-8-4-9-16(21-15)13(2)22)20-17-10-3-6-14-7-5-11-19-18(14)17/h3-11H,1-2H3/b20-12+
InChIKeyCBRYLLVWJJXRKO-UDWIEESQSA-N
MW289.34 g/mol
LogP3.97
Rot. Bonds3

About 1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone

1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone (PubChem CID 138733938) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone
PubChem CID138733938
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(/C(C)=N/c2cccc3cccnc23)n1
InChIInChI=1S/C18H15N3O/c1-12(15-8-4-9-16(21-15)13(2)22)20-17-10-3-6-14-7-5-11-19-18(14)17/h3-11H,1-2H3/b20-12+
InChIKeyCBRYLLVWJJXRKO-UDWIEESQSA-N
XLogP3.97
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-quinolin-8-yliminobutan-1-one
CID 90728099
iron(2+);1-[6-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)-2-pyridinyl]-N-naphthalen-1-ylethanimine;dichloride
CID 22482894
1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 136803768
tetracopper;methanol;bis(N-quinolin-8-ylpyrazine-2-carboximidate);hexaacetate
CID 139088853
1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 143596814
5-quinolin-8-yliminoheptan-3-one
CID 139343067
ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 158021685
N'-quinolin-8-ylpropanimidamide
CID 63174469
dichloroiron;1-[5-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-3H-pyrrol-2-yl]-N-quinolin-8-ylethanimine
CID 18718832
1-hydroxy-2-quinolin-8-ylguanidine
CID 62484126
1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride
CID 87925983
N-(2-tert-butylphenyl)-1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;carbanide;iron(2+)
CID 59100369

Frequently Asked Questions

What is the IUPAC name of 1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone (CID 138733938) is 1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone is CC(=O)c1cccc(/C(C)=N/c2cccc3cccnc23)n1.
What is the InChIKey of 1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone?
The InChIKey is CBRYLLVWJJXRKO-UDWIEESQSA-N. The full InChI is InChI=1S/C18H15N3O/c1-12(15-8-4-9-16(21-15)13(2)22)20-17-10-3-6-14-7-5-11-19-18(14)17/h3-11H,1-2H3/b20-12+.
What are the key properties of 1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone?
1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone has a molecular weight of 289.34 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 138733938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).