6-chloro-N-[3-[3-[(6-chloro-9-methylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-9-methylphenazine-1-carboxamide

C35H33Cl2N7O2 — CID 10532327

IUPAC6-chloro-N-[3-[3-[(6-chloro-9-methylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-9-methylphenazine-1-carboxamide
SMILESCc1ccc(Cl)c2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6c(Cl)ccc(C)c6nc45)c3nc12
InChIInChI=1S/C35H33Cl2N7O2/c1-20-12-14-24(36)32-28(20)42-30-22(8-4-10-26(30)40-32)34(45)38-16-6-18-44(3)19-7-17-39-35(46)23-9-5-11-27-31(23)43-29-21(2)13-15-25(37)33(29)41-27/h4-5,8-15H,6-7,16-19H2,1-3H3,(H,38,45)(H,39,46)
InChIKeyALEZAUOSYNFYJW-UHFFFAOYSA-N
MW654.60 g/mol
LogP6.67
Rot. Bonds10

About 6-chloro-N-[3-[3-[(6-chloro-9-methylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-9-methylphenazine-1-carboxamide

6-chloro-N-[3-[3-[(6-chloro-9-methylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-9-methylphenazine-1-carboxamide (PubChem CID 10532327) has the molecular formula C35H33Cl2N7O2 and a molecular weight of 654.60 g/mol. Its IUPAC name is 6-chloro-N-[3-[3-[(6-chloro-9-methylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-9-methylphenazine-1-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[3-[(6-chloro-9-methylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-9-methylphenazine-1-carboxamide
PubChem CID10532327
Molecular FormulaC35H33Cl2N7O2
Molecular Weight654.60 g/mol
Exact Mass653.21
IUPAC Name6-chloro-N-[3-[3-[(6-chloro-9-methylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-9-methylphenazine-1-carboxamide
SMILESCc1ccc(Cl)c2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6c(Cl)ccc(C)c6nc45)c3nc12
InChIInChI=1S/C35H33Cl2N7O2/c1-20-12-14-24(36)32-28(20)42-30-22(8-4-10-26(30)40-32)34(45)38-16-6-18-44(3)19-7-17-39-35(46)23-9-5-11-27-31(23)43-29-21(2)13-15-25(37)33(29)41-27/h4-5,8-15H,6-7,16-19H2,1-3H3,(H,38,45)(H,39,46)
InChIKeyALEZAUOSYNFYJW-UHFFFAOYSA-N
XLogP6.67
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.60
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[3-[(6-chloro-9-methylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-9-methylphenazine-1-carboxamide?
The IUPAC name of 6-chloro-N-[3-[3-[(6-chloro-9-methylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-9-methylphenazine-1-carboxamide (CID 10532327) is 6-chloro-N-[3-[3-[(6-chloro-9-methylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-9-methylphenazine-1-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[3-[(6-chloro-9-methylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-9-methylphenazine-1-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[3-[(6-chloro-9-methylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-9-methylphenazine-1-carboxamide is Cc1ccc(Cl)c2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6c(Cl)ccc(C)c6nc45)c3nc12.
What is the InChIKey of 6-chloro-N-[3-[3-[(6-chloro-9-methylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-9-methylphenazine-1-carboxamide?
The InChIKey is ALEZAUOSYNFYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33Cl2N7O2/c1-20-12-14-24(36)32-28(20)42-30-22(8-4-10-26(30)40-32)34(45)38-16-6-18-44(3)19-7-17-39-35(46)23-9-5-11-27-31(23)43-29-21(2)13-15-25(37)33(29)41-27/h4-5,8-15H,6-7,16-19H2,1-3H3,(H,38,45)(H,39,46).
What are the key properties of 6-chloro-N-[3-[3-[(6-chloro-9-methylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-9-methylphenazine-1-carboxamide?
6-chloro-N-[3-[3-[(6-chloro-9-methylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-9-methylphenazine-1-carboxamide has a molecular weight of 654.60 g/mol, XLogP of 6.67, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[3-[(6-chloro-9-methylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-9-methylphenazine-1-carboxamide is sourced from PubChem (CID 10532327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).