dichlorotin(2+);bis(ethyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)

C24H20Cl4N4O6Sn — CID 66575567

IUPACdichlorotin(2+);bis(ethyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)
SMILESCl[Sn+2]Cl.[H]/N=c1/c(C(=O)OCC)cc2cc(Cl)ccc2n1[O-].[H]/N=c1/c(C(=O)OCC)cc2cc(Cl)ccc2n1[O-]
InChIInChI=1S/2C12H10ClN2O3.2ClH.Sn/c2*1-2-18-12(16)9-6-7-5-8(13)3-4-10(7)15(17)11(9)14;;;/h2*3-6,14H,2H2,1H3;2*1H;/q2*-1;;;+4/p-2/b2*14-11-;;;
InChIKeyRPTTWGCQUKCKIA-BGFMMZJESA-L
MW720.97 g/mol
LogP5.59
Rot. Bonds4

About dichlorotin(2+);bis(ethyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)

dichlorotin(2+);bis(ethyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate) (PubChem CID 66575567) has the molecular formula C24H20Cl4N4O6Sn and a molecular weight of 720.97 g/mol. Its IUPAC name is dichlorotin(2+);bis(ethyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate).

Molecular Properties

Compound Namedichlorotin(2+);bis(ethyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)
PubChem CID66575567
Molecular FormulaC24H20Cl4N4O6Sn
Molecular Weight720.97 g/mol
Exact Mass719.92
IUPAC Namedichlorotin(2+);bis(ethyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)
SMILESCl[Sn+2]Cl.[H]/N=c1/c(C(=O)OCC)cc2cc(Cl)ccc2n1[O-].[H]/N=c1/c(C(=O)OCC)cc2cc(Cl)ccc2n1[O-]
InChIInChI=1S/2C12H10ClN2O3.2ClH.Sn/c2*1-2-18-12(16)9-6-7-5-8(13)3-4-10(7)15(17)11(9)14;;;/h2*3-6,14H,2H2,1H3;2*1H;/q2*-1;;;+4/p-2/b2*14-11-;;;
InChIKeyRPTTWGCQUKCKIA-BGFMMZJESA-L
XLogP5.59
TPSA156.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.97
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze dichlorotin(2+);bis(ethyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate) 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

Ethyl 1-(2,6-dichlorophenyl)-2-iminoquinoline-3-carboxylate
CID 12923182
Dichlorotin(2+);bis(propan-2-yl 2-imino-1-oxidoquinoline-3-carboxylate)
CID 66575554
Dichlorotin(2+);bis(methyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)
CID 66575556
Methyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate
CID 66575557
Dichlorotin(2+);bis(ethyl 2-imino-1-oxidoquinoline-3-carboxylate)
CID 66575558
Ethyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate
CID 66575568
Dichlorotin(2+);bis(propan-2-yl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)
CID 66575569
Propan-2-yl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate
CID 66575570
Propan-2-yl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate
CID 177419192
Methyl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate
CID 177471032
Ethyl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate
CID 177483996

Frequently Asked Questions

What is the IUPAC name of dichlorotin(2+);bis(ethyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)?
The IUPAC name of dichlorotin(2+);bis(ethyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate) (CID 66575567) is dichlorotin(2+);bis(ethyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate).
What is the SMILES notation for dichlorotin(2+);bis(ethyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)?
The canonical SMILES for dichlorotin(2+);bis(ethyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate) is Cl[Sn+2]Cl.[H]/N=c1/c(C(=O)OCC)cc2cc(Cl)ccc2n1[O-].[H]/N=c1/c(C(=O)OCC)cc2cc(Cl)ccc2n1[O-].
What is the InChIKey of dichlorotin(2+);bis(ethyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)?
The InChIKey is RPTTWGCQUKCKIA-BGFMMZJESA-L. The full InChI is InChI=1S/2C12H10ClN2O3.2ClH.Sn/c2*1-2-18-12(16)9-6-7-5-8(13)3-4-10(7)15(17)11(9)14;;;/h2*3-6,14H,2H2,1H3;2*1H;/q2*-1;;;+4/p-2/b2*14-11-;;;.
What are the key properties of dichlorotin(2+);bis(ethyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)?
dichlorotin(2+);bis(ethyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate) has a molecular weight of 720.97 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotin(2+);bis(ethyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate) is sourced from PubChem (CID 66575567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).