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

C26H24Cl4N4O6Sn — CID 66575569

IUPACdichlorotin(2+);bis(propan-2-yl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)
SMILESCl[Sn+2]Cl.[H]/N=c1/c(C(=O)OC(C)C)cc2cc(Cl)ccc2n1[O-].[H]/N=c1/c(C(=O)OC(C)C)cc2cc(Cl)ccc2n1[O-]
InChIInChI=1S/2C13H12ClN2O3.2ClH.Sn/c2*1-7(2)19-13(17)10-6-8-5-9(14)3-4-11(8)16(18)12(10)15;;;/h2*3-7,15H,1-2H3;2*1H;/q2*-1;;;+4/p-2/b2*15-12-;;;
InChIKeyGFOWXRWEGRXTPC-LNTXGGRUSA-L
MW749.02 g/mol
LogP6.37
Rot. Bonds4

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

dichlorotin(2+);bis(propan-2-yl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate) (PubChem CID 66575569) has the molecular formula C26H24Cl4N4O6Sn and a molecular weight of 749.02 g/mol. Its IUPAC name is dichlorotin(2+);bis(propan-2-yl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate).

Molecular Properties

Compound Namedichlorotin(2+);bis(propan-2-yl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)
PubChem CID66575569
Molecular FormulaC26H24Cl4N4O6Sn
Molecular Weight749.02 g/mol
Exact Mass747.95
IUPAC Namedichlorotin(2+);bis(propan-2-yl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)
SMILESCl[Sn+2]Cl.[H]/N=c1/c(C(=O)OC(C)C)cc2cc(Cl)ccc2n1[O-].[H]/N=c1/c(C(=O)OC(C)C)cc2cc(Cl)ccc2n1[O-]
InChIInChI=1S/2C13H12ClN2O3.2ClH.Sn/c2*1-7(2)19-13(17)10-6-8-5-9(14)3-4-11(8)16(18)12(10)15;;;/h2*3-7,15H,1-2H3;2*1H;/q2*-1;;;+4/p-2/b2*15-12-;;;
InChIKeyGFOWXRWEGRXTPC-LNTXGGRUSA-L
XLogP6.37
TPSA156.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.02
LogP ≤ 56.37
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(propan-2-yl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)?
The IUPAC name of dichlorotin(2+);bis(propan-2-yl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate) (CID 66575569) is dichlorotin(2+);bis(propan-2-yl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate).
What is the SMILES notation for dichlorotin(2+);bis(propan-2-yl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)?
The canonical SMILES for dichlorotin(2+);bis(propan-2-yl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate) is Cl[Sn+2]Cl.[H]/N=c1/c(C(=O)OC(C)C)cc2cc(Cl)ccc2n1[O-].[H]/N=c1/c(C(=O)OC(C)C)cc2cc(Cl)ccc2n1[O-].
What is the InChIKey of dichlorotin(2+);bis(propan-2-yl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)?
The InChIKey is GFOWXRWEGRXTPC-LNTXGGRUSA-L. The full InChI is InChI=1S/2C13H12ClN2O3.2ClH.Sn/c2*1-7(2)19-13(17)10-6-8-5-9(14)3-4-11(8)16(18)12(10)15;;;/h2*3-7,15H,1-2H3;2*1H;/q2*-1;;;+4/p-2/b2*15-12-;;;.
What are the key properties of dichlorotin(2+);bis(propan-2-yl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate)?
dichlorotin(2+);bis(propan-2-yl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate) has a molecular weight of 749.02 g/mol, XLogP of 6.37, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotin(2+);bis(propan-2-yl 6-chloro-2-imino-1-oxidoquinoline-3-carboxylate) is sourced from PubChem (CID 66575569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).