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

C22H16Cl4N4O6Sn — CID 66575556

IUPACdichlorotin(2+);bis(methyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)
SMILESCl[Sn+2]Cl.[H]/N=c1/c(C(=O)OC)cc2cc(Cl)ccc2n1[O-].[H]/N=c1/c(C(=O)OC)cc2cc(Cl)ccc2n1[O-]
InChIInChI=1S/2C11H8ClN2O3.2ClH.Sn/c2*1-17-11(15)8-5-6-4-7(12)2-3-9(6)14(16)10(8)13;;;/h2*2-5,13H,1H3;2*1H;/q2*-1;;;+4/p-2/b2*13-10-;;;
InChIKeyKPCQWILTTMQZNA-ONRHRYJYSA-L
MW692.92 g/mol
LogP4.81
Rot. Bonds2

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

dichlorotin(2+);bis(methyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate) (PubChem CID 66575556) has the molecular formula C22H16Cl4N4O6Sn and a molecular weight of 692.92 g/mol. Its IUPAC name is dichlorotin(2+);bis(methyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate).

Molecular Properties

Compound Namedichlorotin(2+);bis(methyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)
PubChem CID66575556
Molecular FormulaC22H16Cl4N4O6Sn
Molecular Weight692.92 g/mol
Exact Mass691.88
IUPAC Namedichlorotin(2+);bis(methyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)
SMILESCl[Sn+2]Cl.[H]/N=c1/c(C(=O)OC)cc2cc(Cl)ccc2n1[O-].[H]/N=c1/c(C(=O)OC)cc2cc(Cl)ccc2n1[O-]
InChIInChI=1S/2C11H8ClN2O3.2ClH.Sn/c2*1-17-11(15)8-5-6-4-7(12)2-3-9(6)14(16)10(8)13;;;/h2*2-5,13H,1H3;2*1H;/q2*-1;;;+4/p-2/b2*13-10-;;;
InChIKeyKPCQWILTTMQZNA-ONRHRYJYSA-L
XLogP4.81
TPSA156.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500692.92
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichlorotin(2+);bis(methyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)?
The IUPAC name of dichlorotin(2+);bis(methyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate) (CID 66575556) is dichlorotin(2+);bis(methyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate).
What is the SMILES notation for dichlorotin(2+);bis(methyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)?
The canonical SMILES for dichlorotin(2+);bis(methyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate) is Cl[Sn+2]Cl.[H]/N=c1/c(C(=O)OC)cc2cc(Cl)ccc2n1[O-].[H]/N=c1/c(C(=O)OC)cc2cc(Cl)ccc2n1[O-].
What is the InChIKey of dichlorotin(2+);bis(methyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)?
The InChIKey is KPCQWILTTMQZNA-ONRHRYJYSA-L. The full InChI is InChI=1S/2C11H8ClN2O3.2ClH.Sn/c2*1-17-11(15)8-5-6-4-7(12)2-3-9(6)14(16)10(8)13;;;/h2*2-5,13H,1H3;2*1H;/q2*-1;;;+4/p-2/b2*13-10-;;;.
What are the key properties of dichlorotin(2+);bis(methyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)?
dichlorotin(2+);bis(methyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate) has a molecular weight of 692.92 g/mol, XLogP of 4.81, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotin(2+);bis(methyl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate) is sourced from PubChem (CID 66575556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).