N,N-dimethylpyridin-2-amine;6-methoxy-N,N-dimethylquinolin-2-amine;1,8-phenanthroline;piperazine

C35H42N8O — CID 70534031

IUPACN,N-dimethylpyridin-2-amine;6-methoxy-N,N-dimethylquinolin-2-amine;1,8-phenanthroline;piperazine
SMILESC1CNCCN1.CN(C)c1ccccn1.COc1ccc2nc(N(C)C)ccc2c1.c1cnc2c(c1)ccc1cnccc12
InChIInChI=1S/C12H14N2O.C12H8N2.C7H10N2.C4H10N2/c1-14(2)12-7-4-9-8-10(15-3)5-6-11(9)13-12;1-2-9-3-4-10-8-13-7-5-11(10)12(9)14-6-1;1-9(2)7-5-3-4-6-8-7;1-2-6-4-3-5-1/h4-8H,1-3H3;1-8H;3-6H,1-2H3;5-6H,1-4H2
InChIKeyHSCCKXOLEIBSHE-UHFFFAOYSA-N
MW590.78 g/mol
LogP5.42
Rot. Bonds3

About N,N-dimethylpyridin-2-amine;6-methoxy-N,N-dimethylquinolin-2-amine;1,8-phenanthroline;piperazine

N,N-dimethylpyridin-2-amine;6-methoxy-N,N-dimethylquinolin-2-amine;1,8-phenanthroline;piperazine (PubChem CID 70534031) has the molecular formula C35H42N8O and a molecular weight of 590.78 g/mol. Its IUPAC name is N,N-dimethylpyridin-2-amine;6-methoxy-N,N-dimethylquinolin-2-amine;1,8-phenanthroline;piperazine.

Molecular Properties

Compound NameN,N-dimethylpyridin-2-amine;6-methoxy-N,N-dimethylquinolin-2-amine;1,8-phenanthroline;piperazine
PubChem CID70534031
Molecular FormulaC35H42N8O
Molecular Weight590.78 g/mol
Exact Mass590.35
IUPAC NameN,N-dimethylpyridin-2-amine;6-methoxy-N,N-dimethylquinolin-2-amine;1,8-phenanthroline;piperazine
SMILESC1CNCCN1.CN(C)c1ccccn1.COc1ccc2nc(N(C)C)ccc2c1.c1cnc2c(c1)ccc1cnccc12
InChIInChI=1S/C12H14N2O.C12H8N2.C7H10N2.C4H10N2/c1-14(2)12-7-4-9-8-10(15-3)5-6-11(9)13-12;1-2-9-3-4-10-8-13-7-5-11(10)12(9)14-6-1;1-9(2)7-5-3-4-6-8-7;1-2-6-4-3-5-1/h4-8H,1-3H3;1-8H;3-6H,1-2H3;5-6H,1-4H2
InChIKeyHSCCKXOLEIBSHE-UHFFFAOYSA-N
XLogP5.42
TPSA91.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.78
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpyridin-2-amine;6-methoxy-N,N-dimethylquinolin-2-amine;1,8-phenanthroline;piperazine?
The IUPAC name of N,N-dimethylpyridin-2-amine;6-methoxy-N,N-dimethylquinolin-2-amine;1,8-phenanthroline;piperazine (CID 70534031) is N,N-dimethylpyridin-2-amine;6-methoxy-N,N-dimethylquinolin-2-amine;1,8-phenanthroline;piperazine.
What is the SMILES notation for N,N-dimethylpyridin-2-amine;6-methoxy-N,N-dimethylquinolin-2-amine;1,8-phenanthroline;piperazine?
The canonical SMILES for N,N-dimethylpyridin-2-amine;6-methoxy-N,N-dimethylquinolin-2-amine;1,8-phenanthroline;piperazine is C1CNCCN1.CN(C)c1ccccn1.COc1ccc2nc(N(C)C)ccc2c1.c1cnc2c(c1)ccc1cnccc12.
What is the InChIKey of N,N-dimethylpyridin-2-amine;6-methoxy-N,N-dimethylquinolin-2-amine;1,8-phenanthroline;piperazine?
The InChIKey is HSCCKXOLEIBSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C12H8N2.C7H10N2.C4H10N2/c1-14(2)12-7-4-9-8-10(15-3)5-6-11(9)13-12;1-2-9-3-4-10-8-13-7-5-11(10)12(9)14-6-1;1-9(2)7-5-3-4-6-8-7;1-2-6-4-3-5-1/h4-8H,1-3H3;1-8H;3-6H,1-2H3;5-6H,1-4H2.
What are the key properties of N,N-dimethylpyridin-2-amine;6-methoxy-N,N-dimethylquinolin-2-amine;1,8-phenanthroline;piperazine?
N,N-dimethylpyridin-2-amine;6-methoxy-N,N-dimethylquinolin-2-amine;1,8-phenanthroline;piperazine has a molecular weight of 590.78 g/mol, XLogP of 5.42, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpyridin-2-amine;6-methoxy-N,N-dimethylquinolin-2-amine;1,8-phenanthroline;piperazine is sourced from PubChem (CID 70534031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).