[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid

C17H15Cl3N2O5S — CID 88518331

IUPAC[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid
SMILESCS(=O)(=O)O.O=C(c1ccc(Cl)cc1Cl)N1CC/C(=N\O)c2cc(Cl)ccc21
InChIInChI=1S/C16H11Cl3N2O2.CH4O3S/c17-9-2-4-15-12(7-9)14(20-23)5-6-21(15)16(22)11-3-1-10(18)8-13(11)19;1-5(2,3)4/h1-4,7-8,23H,5-6H2;1H3,(H,2,3,4)/b20-14+;
InChIKeyCSRZTYAIOLGCAN-RANVTSCRSA-N
MW465.74 g/mol
LogP4.38
Rot. Bonds1

About [(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid

[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid (PubChem CID 88518331) has the molecular formula C17H15Cl3N2O5S and a molecular weight of 465.74 g/mol. Its IUPAC name is [(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid.

Molecular Properties

Compound Name[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid
PubChem CID88518331
Molecular FormulaC17H15Cl3N2O5S
Molecular Weight465.74 g/mol
Exact Mass463.98
IUPAC Name[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid
SMILESCS(=O)(=O)O.O=C(c1ccc(Cl)cc1Cl)N1CC/C(=N\O)c2cc(Cl)ccc21
InChIInChI=1S/C16H11Cl3N2O2.CH4O3S/c17-9-2-4-15-12(7-9)14(20-23)5-6-21(15)16(22)11-3-1-10(18)8-13(11)19;1-5(2,3)4/h1-4,7-8,23H,5-6H2;1H3,(H,2,3,4)/b20-14+;
InChIKeyCSRZTYAIOLGCAN-RANVTSCRSA-N
XLogP4.38
TPSA107.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.74
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone
CID 88518332
[(4E)-7-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylphenyl)methanone
CID 15020410
(3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77115317
1-(2,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 46636171
(4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77033396
1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one
CID 10520959
6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 110406498
1-(2,4-dichlorobenzoyl)pyrrolidin-2-one
CID 15614171
[(E)-[7-chloro-1-(2-methylbenzoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate
CID 6338015
potassium [(Z)-[6-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-ylidene]amino] sulfate
CID 102119144
(2,4-dichlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone
CID 110738207
2,4-dichloro-N-[4-(4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl)-3-methoxyphenyl]benzamide
CID 18924889

Frequently Asked Questions

What is the IUPAC name of [(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid?
The IUPAC name of [(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid (CID 88518331) is [(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid.
What is the SMILES notation for [(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid?
The canonical SMILES for [(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid is CS(=O)(=O)O.O=C(c1ccc(Cl)cc1Cl)N1CC/C(=N\O)c2cc(Cl)ccc21.
What is the InChIKey of [(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid?
The InChIKey is CSRZTYAIOLGCAN-RANVTSCRSA-N. The full InChI is InChI=1S/C16H11Cl3N2O2.CH4O3S/c17-9-2-4-15-12(7-9)14(20-23)5-6-21(15)16(22)11-3-1-10(18)8-13(11)19;1-5(2,3)4/h1-4,7-8,23H,5-6H2;1H3,(H,2,3,4)/b20-14+;.
What are the key properties of [(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid?
[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid has a molecular weight of 465.74 g/mol, XLogP of 4.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid is sourced from PubChem (CID 88518331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).