8-methoxy-N-[3-[3-[(8-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide

C35H35N7O4 — CID 10508078

IUPAC8-methoxy-N-[3-[3-[(8-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide
SMILESCOc1ccc2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6ccc(OC)cc6nc45)c3nc2c1
InChIInChI=1S/C35H35N7O4/c1-42(18-6-16-36-34(43)24-8-4-10-28-32(24)40-30-20-22(45-2)12-14-26(30)38-28)19-7-17-37-35(44)25-9-5-11-29-33(25)41-31-21-23(46-3)13-15-27(31)39-29/h4-5,8-15,20-21H,6-7,16-19H2,1-3H3,(H,36,43)(H,37,44)
InChIKeyRXROHBZACNSNBE-UHFFFAOYSA-N
MW617.71 g/mol
LogP4.77
Rot. Bonds12

About 8-methoxy-N-[3-[3-[(8-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide

8-methoxy-N-[3-[3-[(8-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide (PubChem CID 10508078) has the molecular formula C35H35N7O4 and a molecular weight of 617.71 g/mol. Its IUPAC name is 8-methoxy-N-[3-[3-[(8-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-[3-[3-[(8-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide
PubChem CID10508078
Molecular FormulaC35H35N7O4
Molecular Weight617.71 g/mol
Exact Mass617.28
IUPAC Name8-methoxy-N-[3-[3-[(8-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide
SMILESCOc1ccc2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6ccc(OC)cc6nc45)c3nc2c1
InChIInChI=1S/C35H35N7O4/c1-42(18-6-16-36-34(43)24-8-4-10-28-32(24)40-30-20-22(45-2)12-14-26(30)38-28)19-7-17-37-35(44)25-9-5-11-29-33(25)41-31-21-23(46-3)13-15-27(31)39-29/h4-5,8-15,20-21H,6-7,16-19H2,1-3H3,(H,36,43)(H,37,44)
InChIKeyRXROHBZACNSNBE-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 8-methoxy-N-[3-[3-[(8-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
The IUPAC name of 8-methoxy-N-[3-[3-[(8-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide (CID 10508078) is 8-methoxy-N-[3-[3-[(8-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide.
What is the SMILES notation for 8-methoxy-N-[3-[3-[(8-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
The canonical SMILES for 8-methoxy-N-[3-[3-[(8-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide is COc1ccc2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6ccc(OC)cc6nc45)c3nc2c1.
What is the InChIKey of 8-methoxy-N-[3-[3-[(8-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
The InChIKey is RXROHBZACNSNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N7O4/c1-42(18-6-16-36-34(43)24-8-4-10-28-32(24)40-30-20-22(45-2)12-14-26(30)38-28)19-7-17-37-35(44)25-9-5-11-29-33(25)41-31-21-23(46-3)13-15-27(31)39-29/h4-5,8-15,20-21H,6-7,16-19H2,1-3H3,(H,36,43)(H,37,44).
What are the key properties of 8-methoxy-N-[3-[3-[(8-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
8-methoxy-N-[3-[3-[(8-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 8-methoxy-N-[3-[3-[(8-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide is sourced from PubChem (CID 10508078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).