2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide

C16H16ClN5 — CID 169366091

IUPAC2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide
SMILESCc1cc(C)n(-c2ccc3cccc(/N=C(/N)CCl)c3n2)n1
InChIInChI=1S/C16H16ClN5/c1-10-8-11(2)22(21-10)15-7-6-12-4-3-5-13(16(12)20-15)19-14(18)9-17/h3-8H,9H2,1-2H3,(H2,18,19)
InChIKeyURJKFQRSDNZPHA-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.26
Rot. Bonds3

About 2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide

2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide (PubChem CID 169366091) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide
PubChem CID169366091
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC Name2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide
SMILESCc1cc(C)n(-c2ccc3cccc(/N=C(/N)CCl)c3n2)n1
InChIInChI=1S/C16H16ClN5/c1-10-8-11(2)22(21-10)15-7-6-12-4-3-5-13(16(12)20-15)19-14(18)9-17/h3-8H,9H2,1-2H3,(H2,18,19)
InChIKeyURJKFQRSDNZPHA-UHFFFAOYSA-N
XLogP3.26
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-8-methylquinoline
CID 122647894
ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate
CID 82108488
methyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate
CID 82108492
2-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]ethene-1,1,2-tricarbonitrile
CID 168607155
2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide
CID 110382591
2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone
CID 157187192
1-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-(4-methylphenyl)ethanimine
CID 101492195
bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene
CID 12718144
11,14-bis(3,5-dimethylpyrazol-1-yl)-2,8-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 42639038
2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-naphthalen-2-yloxyethyl)pyridine-2-carboxamide
CID 112800686
6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 80647714

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide (CID 169366091) is 2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide is Cc1cc(C)n(-c2ccc3cccc(/N=C(/N)CCl)c3n2)n1.
What is the InChIKey of 2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide?
The InChIKey is URJKFQRSDNZPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5/c1-10-8-11(2)22(21-10)15-7-6-12-4-3-5-13(16(12)20-15)19-14(18)9-17/h3-8H,9H2,1-2H3,(H2,18,19).
What are the key properties of 2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide?
2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide has a molecular weight of 313.79 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide is sourced from PubChem (CID 169366091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).