9-methoxy-N-[3-[3-[(9-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide

C35H35N7O4 — CID 10699065

IUPAC9-methoxy-N-[3-[3-[(9-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide
SMILESCOc1cccc2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6cccc(OC)c6nc45)c3nc12
InChIInChI=1S/C35H35N7O4/c1-42(20-8-18-36-34(43)22-10-4-12-24-30(22)40-32-26(38-24)14-6-16-28(32)45-2)21-9-19-37-35(44)23-11-5-13-25-31(23)41-33-27(39-25)15-7-17-29(33)46-3/h4-7,10-17H,8-9,18-21H2,1-3H3,(H,36,43)(H,37,44)
InChIKeyBXFDABQLUWDAFX-UHFFFAOYSA-N
MW617.71 g/mol
LogP4.77
Rot. Bonds12

About 9-methoxy-N-[3-[3-[(9-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide

9-methoxy-N-[3-[3-[(9-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide (PubChem CID 10699065) has the molecular formula C35H35N7O4 and a molecular weight of 617.71 g/mol. Its IUPAC name is 9-methoxy-N-[3-[3-[(9-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide.

Molecular Properties

Compound Name9-methoxy-N-[3-[3-[(9-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide
PubChem CID10699065
Molecular FormulaC35H35N7O4
Molecular Weight617.71 g/mol
Exact Mass617.28
IUPAC Name9-methoxy-N-[3-[3-[(9-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide
SMILESCOc1cccc2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6cccc(OC)c6nc45)c3nc12
InChIInChI=1S/C35H35N7O4/c1-42(20-8-18-36-34(43)22-10-4-12-24-30(22)40-32-26(38-24)14-6-16-28(32)45-2)21-9-19-37-35(44)23-11-5-13-25-31(23)41-33-27(39-25)15-7-17-29(33)46-3/h4-7,10-17H,8-9,18-21H2,1-3H3,(H,36,43)(H,37,44)
InChIKeyBXFDABQLUWDAFX-UHFFFAOYSA-N
XLogP4.77
TPSA131.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.71
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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 9-methoxy-N-[3-[3-[(9-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
The IUPAC name of 9-methoxy-N-[3-[3-[(9-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide (CID 10699065) is 9-methoxy-N-[3-[3-[(9-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide.
What is the SMILES notation for 9-methoxy-N-[3-[3-[(9-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
The canonical SMILES for 9-methoxy-N-[3-[3-[(9-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide is COc1cccc2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6cccc(OC)c6nc45)c3nc12.
What is the InChIKey of 9-methoxy-N-[3-[3-[(9-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
The InChIKey is BXFDABQLUWDAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N7O4/c1-42(20-8-18-36-34(43)22-10-4-12-24-30(22)40-32-26(38-24)14-6-16-28(32)45-2)21-9-19-37-35(44)23-11-5-13-25-31(23)41-33-27(39-25)15-7-17-29(33)46-3/h4-7,10-17H,8-9,18-21H2,1-3H3,(H,36,43)(H,37,44).
What are the key properties of 9-methoxy-N-[3-[3-[(9-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
9-methoxy-N-[3-[3-[(9-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide has a molecular weight of 617.71 g/mol, XLogP of 4.77, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-N-[3-[3-[(9-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide is sourced from PubChem (CID 10699065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).