carbanide;7-chloro-4-methoxy-8-nitroquinoline;7-chloro-4-methoxyquinolin-8-amine;4,7-dichloro-8-nitroquinoline;4,7-dichloroquinoline;4-methoxyquinolin-8-amine;bis(palladium)

C50H41Cl6N9O7Pd2-2 — CID 160830969

IUPACcarbanide;7-chloro-4-methoxy-8-nitroquinoline;7-chloro-4-methoxyquinolin-8-amine;4,7-dichloro-8-nitroquinoline;4,7-dichloroquinoline;4-methoxyquinolin-8-amine;bis(palladium)
SMILESCOc1ccnc2c(N)c(Cl)ccc12.COc1ccnc2c(N)cccc12.COc1ccnc2c([N+](=O)[O-])c(Cl)ccc12.Clc1ccc2c(Cl)ccnc2c1.O=[N+]([O-])c1c(Cl)ccc2c(Cl)ccnc12.[CH3-].[CH3-].[Pd].[Pd]
InChIInChI=1S/C10H7ClN2O3.C10H9ClN2O.C10H10N2O.C9H4Cl2N2O2.C9H5Cl2N.2CH3.2Pd/c1-16-8-4-5-12-9-6(8)2-3-7(11)10(9)13(14)15;1-14-8-4-5-13-10-6(8)2-3-7(11)9(10)12;1-13-9-5-6-12-10-7(9)3-2-4-8(10)11;10-6-3-4-12-8-5(6)1-2-7(11)9(8)13(14)15;10-6-1-2-7-8(11)3-4-12-9(7)5-6;;;;/h2-5H,1H3;2-5H,12H2,1H3;2-6H,11H2,1H3;1-4H;1-5H;2*1H3;;/q;;;;;2*-1;;
InChIKeyJUCPIECILCGUDB-UHFFFAOYSA-N
MW1305.49 g/mol
LogP15.00
Rot. Bonds5

About carbanide;7-chloro-4-methoxy-8-nitroquinoline;7-chloro-4-methoxyquinolin-8-amine;4,7-dichloro-8-nitroquinoline;4,7-dichloroquinoline;4-methoxyquinolin-8-amine;bis(palladium)

carbanide;7-chloro-4-methoxy-8-nitroquinoline;7-chloro-4-methoxyquinolin-8-amine;4,7-dichloro-8-nitroquinoline;4,7-dichloroquinoline;4-methoxyquinolin-8-amine;bis(palladium) (PubChem CID 160830969) has the molecular formula C50H41Cl6N9O7Pd2-2 and a molecular weight of 1305.49 g/mol. Its IUPAC name is carbanide;7-chloro-4-methoxy-8-nitroquinoline;7-chloro-4-methoxyquinolin-8-amine;4,7-dichloro-8-nitroquinoline;4,7-dichloroquinoline;4-methoxyquinolin-8-amine;bis(palladium).

Molecular Properties

Compound Namecarbanide;7-chloro-4-methoxy-8-nitroquinoline;7-chloro-4-methoxyquinolin-8-amine;4,7-dichloro-8-nitroquinoline;4,7-dichloroquinoline;4-methoxyquinolin-8-amine;bis(palladium)
PubChem CID160830969
Molecular FormulaC50H41Cl6N9O7Pd2-2
Molecular Weight1305.49 g/mol
Exact Mass1300.93
IUPAC Namecarbanide;7-chloro-4-methoxy-8-nitroquinoline;7-chloro-4-methoxyquinolin-8-amine;4,7-dichloro-8-nitroquinoline;4,7-dichloroquinoline;4-methoxyquinolin-8-amine;bis(palladium)
SMILESCOc1ccnc2c(N)c(Cl)ccc12.COc1ccnc2c(N)cccc12.COc1ccnc2c([N+](=O)[O-])c(Cl)ccc12.Clc1ccc2c(Cl)ccnc2c1.O=[N+]([O-])c1c(Cl)ccc2c(Cl)ccnc12.[CH3-].[CH3-].[Pd].[Pd]
InChIInChI=1S/C10H7ClN2O3.C10H9ClN2O.C10H10N2O.C9H4Cl2N2O2.C9H5Cl2N.2CH3.2Pd/c1-16-8-4-5-12-9-6(8)2-3-7(11)10(9)13(14)15;1-14-8-4-5-13-10-6(8)2-3-7(11)9(10)12;1-13-9-5-6-12-10-7(9)3-2-4-8(10)11;10-6-3-4-12-8-5(6)1-2-7(11)9(8)13(14)15;10-6-1-2-7-8(11)3-4-12-9(7)5-6;;;;/h2-5H,1H3;2-5H,12H2,1H3;2-6H,11H2,1H3;1-4H;1-5H;2*1H3;;/q;;;;;2*-1;;
InChIKeyJUCPIECILCGUDB-UHFFFAOYSA-N
XLogP15.00
TPSA230.46 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001305.49
LogP ≤ 515.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze carbanide;7-chloro-4-methoxy-8-nitroquinoline;7-chloro-4-methoxyquinolin-8-amine;4,7-dichloro-8-nitroquinoline;4,7-dichloroquinoline;4-methoxyquinolin-8-amine;bis(palladium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;7-chloro-4-methoxy-8-nitroquinoline;7-chloro-4-methoxyquinolin-8-amine;4,7-dichloro-8-nitroquinoline;4,7-dichloroquinoline;4-methoxyquinolin-8-amine;bis(palladium)?
The IUPAC name of carbanide;7-chloro-4-methoxy-8-nitroquinoline;7-chloro-4-methoxyquinolin-8-amine;4,7-dichloro-8-nitroquinoline;4,7-dichloroquinoline;4-methoxyquinolin-8-amine;bis(palladium) (CID 160830969) is carbanide;7-chloro-4-methoxy-8-nitroquinoline;7-chloro-4-methoxyquinolin-8-amine;4,7-dichloro-8-nitroquinoline;4,7-dichloroquinoline;4-methoxyquinolin-8-amine;bis(palladium).
What is the SMILES notation for carbanide;7-chloro-4-methoxy-8-nitroquinoline;7-chloro-4-methoxyquinolin-8-amine;4,7-dichloro-8-nitroquinoline;4,7-dichloroquinoline;4-methoxyquinolin-8-amine;bis(palladium)?
The canonical SMILES for carbanide;7-chloro-4-methoxy-8-nitroquinoline;7-chloro-4-methoxyquinolin-8-amine;4,7-dichloro-8-nitroquinoline;4,7-dichloroquinoline;4-methoxyquinolin-8-amine;bis(palladium) is COc1ccnc2c(N)c(Cl)ccc12.COc1ccnc2c(N)cccc12.COc1ccnc2c([N+](=O)[O-])c(Cl)ccc12.Clc1ccc2c(Cl)ccnc2c1.O=[N+]([O-])c1c(Cl)ccc2c(Cl)ccnc12.[CH3-].[CH3-].[Pd].[Pd].
What is the InChIKey of carbanide;7-chloro-4-methoxy-8-nitroquinoline;7-chloro-4-methoxyquinolin-8-amine;4,7-dichloro-8-nitroquinoline;4,7-dichloroquinoline;4-methoxyquinolin-8-amine;bis(palladium)?
The InChIKey is JUCPIECILCGUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3.C10H9ClN2O.C10H10N2O.C9H4Cl2N2O2.C9H5Cl2N.2CH3.2Pd/c1-16-8-4-5-12-9-6(8)2-3-7(11)10(9)13(14)15;1-14-8-4-5-13-10-6(8)2-3-7(11)9(10)12;1-13-9-5-6-12-10-7(9)3-2-4-8(10)11;10-6-3-4-12-8-5(6)1-2-7(11)9(8)13(14)15;10-6-1-2-7-8(11)3-4-12-9(7)5-6;;;;/h2-5H,1H3;2-5H,12H2,1H3;2-6H,11H2,1H3;1-4H;1-5H;2*1H3;;/q;;;;;2*-1;;.
What are the key properties of carbanide;7-chloro-4-methoxy-8-nitroquinoline;7-chloro-4-methoxyquinolin-8-amine;4,7-dichloro-8-nitroquinoline;4,7-dichloroquinoline;4-methoxyquinolin-8-amine;bis(palladium)?
carbanide;7-chloro-4-methoxy-8-nitroquinoline;7-chloro-4-methoxyquinolin-8-amine;4,7-dichloro-8-nitroquinoline;4,7-dichloroquinoline;4-methoxyquinolin-8-amine;bis(palladium) has a molecular weight of 1305.49 g/mol, XLogP of 15.00, 5 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;7-chloro-4-methoxy-8-nitroquinoline;7-chloro-4-methoxyquinolin-8-amine;4,7-dichloro-8-nitroquinoline;4,7-dichloroquinoline;4-methoxyquinolin-8-amine;bis(palladium) is sourced from PubChem (CID 160830969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).