2-amino-3-methyl-N-quinolin-8-ylbutanimidate;chloroplatinum(1+)

C14H16ClN3OPt — CID 11561912

IUPAC2-amino-3-methyl-N-quinolin-8-ylbutanimidate;chloroplatinum(1+)
SMILESCC(C)C(N)/C([O-])=N/c1cccc2cccnc12.Cl[Pt+]
InChIInChI=1S/C14H17N3O.ClH.Pt/c1-9(2)12(15)14(18)17-11-7-3-5-10-6-4-8-16-13(10)11;;/h3-9,12H,15H2,1-2H3,(H,17,18);1H;/q;;+2/p-2
InChIKeySTFKMHVNSHLAAF-UHFFFAOYSA-L
MW472.83 g/mol
LogP2.30
Rot. Bonds3

About 2-amino-3-methyl-N-quinolin-8-ylbutanimidate;chloroplatinum(1+)

2-amino-3-methyl-N-quinolin-8-ylbutanimidate;chloroplatinum(1+) (PubChem CID 11561912) has the molecular formula C14H16ClN3OPt and a molecular weight of 472.83 g/mol. Its IUPAC name is 2-amino-3-methyl-N-quinolin-8-ylbutanimidate;chloroplatinum(1+).

Molecular Properties

Compound Name2-amino-3-methyl-N-quinolin-8-ylbutanimidate;chloroplatinum(1+)
PubChem CID11561912
Molecular FormulaC14H16ClN3OPt
Molecular Weight472.83 g/mol
Exact Mass472.06
IUPAC Name2-amino-3-methyl-N-quinolin-8-ylbutanimidate;chloroplatinum(1+)
SMILESCC(C)C(N)/C([O-])=N/c1cccc2cccnc12.Cl[Pt+]
InChIInChI=1S/C14H17N3O.ClH.Pt/c1-9(2)12(15)14(18)17-11-7-3-5-10-6-4-8-16-13(10)11;;/h3-9,12H,15H2,1-2H3,(H,17,18);1H;/q;;+2/p-2
InChIKeySTFKMHVNSHLAAF-UHFFFAOYSA-L
XLogP2.30
TPSA74.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.83
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-quinolin-8-ylpropanimidamide
CID 63174469
chloroplatinum(1+);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-N-quinolin-8-ylbutanimidate
CID 15971390
1-hydroxy-2-quinolin-8-ylguanidine
CID 62484126
(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
CID 22690765
(2S,3S)-butane-2,3-diamine;1,10-phenanthroline;platinum(2+)
CID 59769200
zinc bis((Z)-6,6,6-trifluoro-2,2-dimethyl-5-quinolin-8-yliminohex-3-en-3-olate)
CID 139165159
tetracopper;methanol;bis(N-quinolin-8-ylpyrazine-2-carboximidate);hexaacetate
CID 139088853
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290
1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone
CID 138733938
N'-quinolin-8-ylcyclohexanecarboximidamide
CID 63174574
dichloroiron;1-[5-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-3H-pyrrol-2-yl]-N-quinolin-8-ylethanimine
CID 18718832

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-quinolin-8-ylbutanimidate;chloroplatinum(1+)?
The IUPAC name of 2-amino-3-methyl-N-quinolin-8-ylbutanimidate;chloroplatinum(1+) (CID 11561912) is 2-amino-3-methyl-N-quinolin-8-ylbutanimidate;chloroplatinum(1+).
What is the SMILES notation for 2-amino-3-methyl-N-quinolin-8-ylbutanimidate;chloroplatinum(1+)?
The canonical SMILES for 2-amino-3-methyl-N-quinolin-8-ylbutanimidate;chloroplatinum(1+) is CC(C)C(N)/C([O-])=N/c1cccc2cccnc12.Cl[Pt+].
What is the InChIKey of 2-amino-3-methyl-N-quinolin-8-ylbutanimidate;chloroplatinum(1+)?
The InChIKey is STFKMHVNSHLAAF-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H17N3O.ClH.Pt/c1-9(2)12(15)14(18)17-11-7-3-5-10-6-4-8-16-13(10)11;;/h3-9,12H,15H2,1-2H3,(H,17,18);1H;/q;;+2/p-2.
What are the key properties of 2-amino-3-methyl-N-quinolin-8-ylbutanimidate;chloroplatinum(1+)?
2-amino-3-methyl-N-quinolin-8-ylbutanimidate;chloroplatinum(1+) has a molecular weight of 472.83 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-quinolin-8-ylbutanimidate;chloroplatinum(1+) is sourced from PubChem (CID 11561912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).