azanide;butanedioic acid;dichloroplatinum(2+);(4-methyl-2-oxochromen-7-yl)carbamic acid

C15H19Cl2N3O8Pt — CID 170653162

IUPACazanide;butanedioic acid;dichloroplatinum(2+);(4-methyl-2-oxochromen-7-yl)carbamic acid
SMILESCc1cc(=O)oc2cc(NC(=O)O)ccc12.Cl[Pt+2]Cl.O=C(O)CCC(=O)O.[NH2-].[NH2-]
InChIInChI=1S/C11H9NO4.C4H6O4.2ClH.2H2N.Pt/c1-6-4-10(13)16-9-5-7(12-11(14)15)2-3-8(6)9;5-3(6)1-2-4(7)8;;;;;/h2-5,12H,1H3,(H,14,15);1-2H2,(H,5,6)(H,7,8);2*1H;2*1H2;/q;;;;2*-1;+4/p-2
InChIKeyKKVQXWANQYVVQY-UHFFFAOYSA-L
MW635.31 g/mol
LogP4.94
Rot. Bonds4

About azanide;butanedioic acid;dichloroplatinum(2+);(4-methyl-2-oxochromen-7-yl)carbamic acid

azanide;butanedioic acid;dichloroplatinum(2+);(4-methyl-2-oxochromen-7-yl)carbamic acid (PubChem CID 170653162) has the molecular formula C15H19Cl2N3O8Pt and a molecular weight of 635.31 g/mol. Its IUPAC name is azanide;butanedioic acid;dichloroplatinum(2+);(4-methyl-2-oxochromen-7-yl)carbamic acid.

Molecular Properties

Compound Nameazanide;butanedioic acid;dichloroplatinum(2+);(4-methyl-2-oxochromen-7-yl)carbamic acid
PubChem CID170653162
Molecular FormulaC15H19Cl2N3O8Pt
Molecular Weight635.31 g/mol
Exact Mass634.02
IUPAC Nameazanide;butanedioic acid;dichloroplatinum(2+);(4-methyl-2-oxochromen-7-yl)carbamic acid
SMILESCc1cc(=O)oc2cc(NC(=O)O)ccc12.Cl[Pt+2]Cl.O=C(O)CCC(=O)O.[NH2-].[NH2-]
InChIInChI=1S/C11H9NO4.C4H6O4.2ClH.2H2N.Pt/c1-6-4-10(13)16-9-5-7(12-11(14)15)2-3-8(6)9;5-3(6)1-2-4(7)8;;;;;/h2-5,12H,1H3,(H,14,15);1-2H2,(H,5,6)(H,7,8);2*1H;2*1H2;/q;;;;2*-1;+4/p-2
InChIKeyKKVQXWANQYVVQY-UHFFFAOYSA-L
XLogP4.94
TPSA221.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.31
LogP ≤ 54.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(3-carboxypropanoylamino)-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoic acid
CID 102186404
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
CID 53393956
1-tert-butyl-3-(4-methyl-2-oxochromen-7-yl)urea
CID 110749119
(E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide
CID 18272991
N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide
CID 18170333
3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
CID 26878521
6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 10758804
N-(4-methyl-2-oxochromen-7-yl)-2-naphthalen-2-ylacetamide
CID 26878478
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719

Frequently Asked Questions

What is the IUPAC name of azanide;butanedioic acid;dichloroplatinum(2+);(4-methyl-2-oxochromen-7-yl)carbamic acid?
The IUPAC name of azanide;butanedioic acid;dichloroplatinum(2+);(4-methyl-2-oxochromen-7-yl)carbamic acid (CID 170653162) is azanide;butanedioic acid;dichloroplatinum(2+);(4-methyl-2-oxochromen-7-yl)carbamic acid.
What is the SMILES notation for azanide;butanedioic acid;dichloroplatinum(2+);(4-methyl-2-oxochromen-7-yl)carbamic acid?
The canonical SMILES for azanide;butanedioic acid;dichloroplatinum(2+);(4-methyl-2-oxochromen-7-yl)carbamic acid is Cc1cc(=O)oc2cc(NC(=O)O)ccc12.Cl[Pt+2]Cl.O=C(O)CCC(=O)O.[NH2-].[NH2-].
What is the InChIKey of azanide;butanedioic acid;dichloroplatinum(2+);(4-methyl-2-oxochromen-7-yl)carbamic acid?
The InChIKey is KKVQXWANQYVVQY-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H9NO4.C4H6O4.2ClH.2H2N.Pt/c1-6-4-10(13)16-9-5-7(12-11(14)15)2-3-8(6)9;5-3(6)1-2-4(7)8;;;;;/h2-5,12H,1H3,(H,14,15);1-2H2,(H,5,6)(H,7,8);2*1H;2*1H2;/q;;;;2*-1;+4/p-2.
What are the key properties of azanide;butanedioic acid;dichloroplatinum(2+);(4-methyl-2-oxochromen-7-yl)carbamic acid?
azanide;butanedioic acid;dichloroplatinum(2+);(4-methyl-2-oxochromen-7-yl)carbamic acid has a molecular weight of 635.31 g/mol, XLogP of 4.94, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;butanedioic acid;dichloroplatinum(2+);(4-methyl-2-oxochromen-7-yl)carbamic acid is sourced from PubChem (CID 170653162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).