[2-(4-fluorophenyl)ethanimidoyl] 8-methoxyquinoline-7-carboximidothioate

C19H16FN3OS — CID 142166501

IUPAC[2-(4-fluorophenyl)ethanimidoyl] 8-methoxyquinoline-7-carboximidothioate
SMILES[H]/N=C(\S/C(Cc1ccc(F)cc1)=N/[H])c1ccc2cccnc2c1OC
InChIInChI=1S/C19H16FN3OS/c1-24-18-15(9-6-13-3-2-10-23-17(13)18)19(22)25-16(21)11-12-4-7-14(20)8-5-12/h2-10,21-22H,11H2,1H3/b21-16+,22-19-
InChIKeyLOGLQBHFJMDGQD-FAYYNAPHSA-N
MW353.42 g/mol
LogP4.66
Rot. Bonds4

About [2-(4-fluorophenyl)ethanimidoyl] 8-methoxyquinoline-7-carboximidothioate

[2-(4-fluorophenyl)ethanimidoyl] 8-methoxyquinoline-7-carboximidothioate (PubChem CID 142166501) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is [2-(4-fluorophenyl)ethanimidoyl] 8-methoxyquinoline-7-carboximidothioate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)ethanimidoyl] 8-methoxyquinoline-7-carboximidothioate
PubChem CID142166501
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC Name[2-(4-fluorophenyl)ethanimidoyl] 8-methoxyquinoline-7-carboximidothioate
SMILES[H]/N=C(\S/C(Cc1ccc(F)cc1)=N/[H])c1ccc2cccnc2c1OC
InChIInChI=1S/C19H16FN3OS/c1-24-18-15(9-6-13-3-2-10-23-17(13)18)19(22)25-16(21)11-12-4-7-14(20)8-5-12/h2-10,21-22H,11H2,1H3/b21-16+,22-19-
InChIKeyLOGLQBHFJMDGQD-FAYYNAPHSA-N
XLogP4.66
TPSA69.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-phenyl-4H-pyrano[3,2-H]quinoline-3-carbonitrile
CID 364824
8-Methoxyquinoline
CID 70310
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
3-[(4-Methoxyphenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
CID 326315
8-Methoxyquinolin-4-amine
CID 16767485
2-amino-4-(pyridin-4-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
CID 3845259
7-(((2-Methoxyphenyl)amino)(phenyl)methyl)quinolin-8-ol
CID 256751
2H-Pyrido[3,3-benzoxazine, 3-cyclohexyl-3,4-dihydro-
CID 291306
2H-Pyrido[3,3-benzoxazine, 3,4-dihydro-3-(2-phenylethyl)-
CID 291307
8-[3-(2,3-Dimethylphenoxy)propoxy]quinoline
CID 2283202
2-amino-4-(3,4-dimethoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
CID 3165203
7-{[(2-Methoxyphenyl)amino](pyridin-3-yl)methyl}quinolin-8-ol
CID 4128964

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)ethanimidoyl] 8-methoxyquinoline-7-carboximidothioate?
The IUPAC name of [2-(4-fluorophenyl)ethanimidoyl] 8-methoxyquinoline-7-carboximidothioate (CID 142166501) is [2-(4-fluorophenyl)ethanimidoyl] 8-methoxyquinoline-7-carboximidothioate.
What is the SMILES notation for [2-(4-fluorophenyl)ethanimidoyl] 8-methoxyquinoline-7-carboximidothioate?
The canonical SMILES for [2-(4-fluorophenyl)ethanimidoyl] 8-methoxyquinoline-7-carboximidothioate is [H]/N=C(\S/C(Cc1ccc(F)cc1)=N/[H])c1ccc2cccnc2c1OC.
What is the InChIKey of [2-(4-fluorophenyl)ethanimidoyl] 8-methoxyquinoline-7-carboximidothioate?
The InChIKey is LOGLQBHFJMDGQD-FAYYNAPHSA-N. The full InChI is InChI=1S/C19H16FN3OS/c1-24-18-15(9-6-13-3-2-10-23-17(13)18)19(22)25-16(21)11-12-4-7-14(20)8-5-12/h2-10,21-22H,11H2,1H3/b21-16+,22-19-.
What are the key properties of [2-(4-fluorophenyl)ethanimidoyl] 8-methoxyquinoline-7-carboximidothioate?
[2-(4-fluorophenyl)ethanimidoyl] 8-methoxyquinoline-7-carboximidothioate has a molecular weight of 353.42 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)ethanimidoyl] 8-methoxyquinoline-7-carboximidothioate is sourced from PubChem (CID 142166501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).