5-isocyano-1-(4-methyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)

C31H27N5OPt — CID 168844749

IUPAC5-isocyano-1-(4-methyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)
SMILES[C-]#[N+]c1cc(Oc2[c-]c3c(cc2)CCCN3c2cc(C)ccn2)[c-]c2c1CCCN2c1cc(C)ccn1.[Pt+2]
InChIInChI=1S/C31H27N5O.Pt/c1-21-10-12-33-30(16-21)35-14-4-6-23-8-9-24(19-28(23)35)37-25-18-27(32-3)26-7-5-15-36(29(26)20-25)31-17-22(2)11-13-34-31;/h8-13,16-18H,4-7,14-15H2,1-2H3;/q-2;+2
InChIKeyBCVXDXAWOPTAKR-UHFFFAOYSA-N
MW680.67 g/mol
LogP7.20
Rot. Bonds4

About 5-isocyano-1-(4-methyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)

5-isocyano-1-(4-methyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) (PubChem CID 168844749) has the molecular formula C31H27N5OPt and a molecular weight of 680.67 g/mol. Its IUPAC name is 5-isocyano-1-(4-methyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+).

Molecular Properties

Compound Name5-isocyano-1-(4-methyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)
PubChem CID168844749
Molecular FormulaC31H27N5OPt
Molecular Weight680.67 g/mol
Exact Mass680.19
IUPAC Name5-isocyano-1-(4-methyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)
SMILES[C-]#[N+]c1cc(Oc2[c-]c3c(cc2)CCCN3c2cc(C)ccn2)[c-]c2c1CCCN2c1cc(C)ccn1.[Pt+2]
InChIInChI=1S/C31H27N5O.Pt/c1-21-10-12-33-30(16-21)35-14-4-6-23-8-9-24(19-28(23)35)37-25-18-27(32-3)26-7-5-15-36(29(26)20-25)31-17-22(2)11-13-34-31;/h8-13,16-18H,4-7,14-15H2,1-2H3;/q-2;+2
InChIKeyBCVXDXAWOPTAKR-UHFFFAOYSA-N
XLogP7.20
TPSA45.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.67
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-isocyano-1-(4-methyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) with MolForge

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Launch Full Analysis

Related Compounds

1-(4-methyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)
CID 168844659
1-[3,4-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-isocyano-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)
CID 168844719
7-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-5-isocyano-1-(4-methyl-5-phenyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)
CID 168844813
1-(4-methyl-5-phenyl-2-pyridinyl)-7-[2-[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]propan-2-yl]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)
CID 168844737
[1-[3-[[5-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169066460
5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline
CID 168844653
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
CID 169066476
1-(4-tert-butyl-2-pyridinyl)-7-[2-[1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-2,3,4,8-tetrahydroquinolin-8-id-7-yl]propan-2-yl]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)
CID 168844776
[1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
CID 169066578
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-5-phenyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
CID 169066427
[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanamine
CID 24702103
5-tert-butyl-1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-7-[[1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline
CID 168844704

Frequently Asked Questions

What is the IUPAC name of 5-isocyano-1-(4-methyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)?
The IUPAC name of 5-isocyano-1-(4-methyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) (CID 168844749) is 5-isocyano-1-(4-methyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+).
What is the SMILES notation for 5-isocyano-1-(4-methyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)?
The canonical SMILES for 5-isocyano-1-(4-methyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) is [C-]#[N+]c1cc(Oc2[c-]c3c(cc2)CCCN3c2cc(C)ccn2)[c-]c2c1CCCN2c1cc(C)ccn1.[Pt+2].
What is the InChIKey of 5-isocyano-1-(4-methyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)?
The InChIKey is BCVXDXAWOPTAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5O.Pt/c1-21-10-12-33-30(16-21)35-14-4-6-23-8-9-24(19-28(23)35)37-25-18-27(32-3)26-7-5-15-36(29(26)20-25)31-17-22(2)11-13-34-31;/h8-13,16-18H,4-7,14-15H2,1-2H3;/q-2;+2.
What are the key properties of 5-isocyano-1-(4-methyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)?
5-isocyano-1-(4-methyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) has a molecular weight of 680.67 g/mol, XLogP of 7.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-1-(4-methyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) is sourced from PubChem (CID 168844749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).