6-chloro-N-[2-[2-[2-[(6-chloro-9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-9-methylphenazine-1-carboxamide

C34H32Cl2N8O2 — CID 10699482

IUPAC6-chloro-N-[2-[2-[2-[(6-chloro-9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-9-methylphenazine-1-carboxamide
SMILESCc1ccc(Cl)c2nc3cccc(C(=O)NCCNCCNCCNC(=O)c4cccc5nc6c(Cl)ccc(C)c6nc45)c3nc12
InChIInChI=1S/C34H32Cl2N8O2/c1-19-9-11-23(35)31-27(19)43-29-21(5-3-7-25(29)41-31)33(45)39-17-15-37-13-14-38-16-18-40-34(46)22-6-4-8-26-30(22)44-28-20(2)10-12-24(36)32(28)42-26/h3-12,37-38H,13-18H2,1-2H3,(H,39,45)(H,40,46)
InChIKeySUGMRYLGIQPWTI-UHFFFAOYSA-N
MW655.59 g/mol
LogP5.14
Rot. Bonds11

About 6-chloro-N-[2-[2-[2-[(6-chloro-9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-9-methylphenazine-1-carboxamide

6-chloro-N-[2-[2-[2-[(6-chloro-9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-9-methylphenazine-1-carboxamide (PubChem CID 10699482) has the molecular formula C34H32Cl2N8O2 and a molecular weight of 655.59 g/mol. Its IUPAC name is 6-chloro-N-[2-[2-[2-[(6-chloro-9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-9-methylphenazine-1-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-[2-[2-[(6-chloro-9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-9-methylphenazine-1-carboxamide
PubChem CID10699482
Molecular FormulaC34H32Cl2N8O2
Molecular Weight655.59 g/mol
Exact Mass654.20
IUPAC Name6-chloro-N-[2-[2-[2-[(6-chloro-9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-9-methylphenazine-1-carboxamide
SMILESCc1ccc(Cl)c2nc3cccc(C(=O)NCCNCCNCCNC(=O)c4cccc5nc6c(Cl)ccc(C)c6nc45)c3nc12
InChIInChI=1S/C34H32Cl2N8O2/c1-19-9-11-23(35)31-27(19)43-29-21(5-3-7-25(29)41-31)33(45)39-17-15-37-13-14-38-16-18-40-34(46)22-6-4-8-26-30(22)44-28-20(2)10-12-24(36)32(28)42-26/h3-12,37-38H,13-18H2,1-2H3,(H,39,45)(H,40,46)
InChIKeySUGMRYLGIQPWTI-UHFFFAOYSA-N
XLogP5.14
TPSA133.82 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.59
LogP ≤ 55.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[2-[2-[2-[(6-chloro-9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-9-methylphenazine-1-carboxamide with MolForge

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Related Compounds

N-[(E)-4,5-diamino-8-[(9-methylphenazine-1-carbonyl)amino]oct-4-enyl]-9-methylphenazine-1-carboxamide
CID 70131082
9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
CID 10593362
N-methylphenazine-1-carboxamide
CID 4257706
N-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-1-carboxamide
CID 163495440
2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide
CID 107983088
2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide
CID 133313845
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide
CID 47049468
3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide
CID 11580719
N-(3-chlorobutyl)quinoxaline-5-carboxamide
CID 104615743
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide
CID 54432311
N-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide
CID 59228758

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[2-[2-[(6-chloro-9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-9-methylphenazine-1-carboxamide?
The IUPAC name of 6-chloro-N-[2-[2-[2-[(6-chloro-9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-9-methylphenazine-1-carboxamide (CID 10699482) is 6-chloro-N-[2-[2-[2-[(6-chloro-9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-9-methylphenazine-1-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-[2-[2-[(6-chloro-9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-9-methylphenazine-1-carboxamide?
The canonical SMILES for 6-chloro-N-[2-[2-[2-[(6-chloro-9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-9-methylphenazine-1-carboxamide is Cc1ccc(Cl)c2nc3cccc(C(=O)NCCNCCNCCNC(=O)c4cccc5nc6c(Cl)ccc(C)c6nc45)c3nc12.
What is the InChIKey of 6-chloro-N-[2-[2-[2-[(6-chloro-9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-9-methylphenazine-1-carboxamide?
The InChIKey is SUGMRYLGIQPWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32Cl2N8O2/c1-19-9-11-23(35)31-27(19)43-29-21(5-3-7-25(29)41-31)33(45)39-17-15-37-13-14-38-16-18-40-34(46)22-6-4-8-26-30(22)44-28-20(2)10-12-24(36)32(28)42-26/h3-12,37-38H,13-18H2,1-2H3,(H,39,45)(H,40,46).
What are the key properties of 6-chloro-N-[2-[2-[2-[(6-chloro-9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-9-methylphenazine-1-carboxamide?
6-chloro-N-[2-[2-[2-[(6-chloro-9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-9-methylphenazine-1-carboxamide has a molecular weight of 655.59 g/mol, XLogP of 5.14, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[2-[2-[(6-chloro-9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-9-methylphenazine-1-carboxamide is sourced from PubChem (CID 10699482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).