chloroplatinum(1+);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-N-quinolin-8-ylbutanimidate

C19H24ClN3O3PtS — CID 15971390

IUPACchloroplatinum(1+);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-N-quinolin-8-ylbutanimidate
SMILESCSCC[C@H](NC(=O)OC(C)(C)C)/C([O-])=N/c1cccc2cccnc12.Cl[Pt+]
InChIInChI=1S/C19H25N3O3S.ClH.Pt/c1-19(2,3)25-18(24)22-15(10-12-26-4)17(23)21-14-9-5-7-13-8-6-11-20-16(13)14;;/h5-9,11,15H,10,12H2,1-4H3,(H,21,23)(H,22,24);1H;/q;;+2/p-2/t15-;;/m0../s1
InChIKeyBYRACNLCJKDCHI-CKUXDGONSA-L
MW605.02 g/mol
LogP3.96
Rot. Bonds6

About chloroplatinum(1+);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-N-quinolin-8-ylbutanimidate

chloroplatinum(1+);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-N-quinolin-8-ylbutanimidate (PubChem CID 15971390) has the molecular formula C19H24ClN3O3PtS and a molecular weight of 605.02 g/mol. Its IUPAC name is chloroplatinum(1+);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-N-quinolin-8-ylbutanimidate.

Molecular Properties

Compound Namechloroplatinum(1+);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-N-quinolin-8-ylbutanimidate
PubChem CID15971390
Molecular FormulaC19H24ClN3O3PtS
Molecular Weight605.02 g/mol
Exact Mass604.09
IUPAC Namechloroplatinum(1+);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-N-quinolin-8-ylbutanimidate
SMILESCSCC[C@H](NC(=O)OC(C)(C)C)/C([O-])=N/c1cccc2cccnc12.Cl[Pt+]
InChIInChI=1S/C19H25N3O3S.ClH.Pt/c1-19(2,3)25-18(24)22-15(10-12-26-4)17(23)21-14-9-5-7-13-8-6-11-20-16(13)14;;/h5-9,11,15H,10,12H2,1-4H3,(H,21,23)(H,22,24);1H;/q;;+2/p-2/t15-;;/m0../s1
InChIKeyBYRACNLCJKDCHI-CKUXDGONSA-L
XLogP3.96
TPSA86.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.02
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze chloroplatinum(1+);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-N-quinolin-8-ylbutanimidate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-4-methylsulfanyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]butan-2-yl]carbamate
CID 6885080
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-8-ylpropanoic acid
CID 103666134
tert-butyl N-[4-methylsulfanyl-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]butan-2-yl]carbamate
CID 108766684
2-amino-3-methyl-N-quinolin-8-ylbutanimidate;chloroplatinum(1+)
CID 11561912
tert-butyl N-[(2S)-1-(3-chloroanilino)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 10937249
tert-butyl N-[(2S)-1-chloro-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 131217550
tert-butyl N-[(2S)-1-(3-bromophenyl)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 139886096
tert-butyl N-[4-methylsulfanyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
CID 24688995
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate
CID 11645794
(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
CID 13454474
methyl 4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]benzoate
CID 36708294
3-[[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]methyl]benzoic acid
CID 108767626

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-N-quinolin-8-ylbutanimidate?
The IUPAC name of chloroplatinum(1+);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-N-quinolin-8-ylbutanimidate (CID 15971390) is chloroplatinum(1+);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-N-quinolin-8-ylbutanimidate.
What is the SMILES notation for chloroplatinum(1+);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-N-quinolin-8-ylbutanimidate?
The canonical SMILES for chloroplatinum(1+);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-N-quinolin-8-ylbutanimidate is CSCC[C@H](NC(=O)OC(C)(C)C)/C([O-])=N/c1cccc2cccnc12.Cl[Pt+].
What is the InChIKey of chloroplatinum(1+);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-N-quinolin-8-ylbutanimidate?
The InChIKey is BYRACNLCJKDCHI-CKUXDGONSA-L. The full InChI is InChI=1S/C19H25N3O3S.ClH.Pt/c1-19(2,3)25-18(24)22-15(10-12-26-4)17(23)21-14-9-5-7-13-8-6-11-20-16(13)14;;/h5-9,11,15H,10,12H2,1-4H3,(H,21,23)(H,22,24);1H;/q;;+2/p-2/t15-;;/m0../s1.
What are the key properties of chloroplatinum(1+);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-N-quinolin-8-ylbutanimidate?
chloroplatinum(1+);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-N-quinolin-8-ylbutanimidate has a molecular weight of 605.02 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-N-quinolin-8-ylbutanimidate is sourced from PubChem (CID 15971390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).