6-chloro-N-[3-[3-[(6-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide

C33H29Cl2N7O2 — CID 10508201

IUPAC6-chloro-N-[3-[3-[(6-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide
SMILESCN(CCCNC(=O)c1cccc2nc3c(Cl)cccc3nc12)CCCNC(=O)c1cccc2nc3c(Cl)cccc3nc12
InChIInChI=1S/C33H29Cl2N7O2/c1-42(18-6-16-36-32(43)20-8-2-12-24-28(20)38-26-14-4-10-22(34)30(26)40-24)19-7-17-37-33(44)21-9-3-13-25-29(21)39-27-15-5-11-23(35)31(27)41-25/h2-5,8-15H,6-7,16-19H2,1H3,(H,36,43)(H,37,44)
InChIKeyMXTDPJAFFVWDIJ-UHFFFAOYSA-N
MW626.55 g/mol
LogP6.06
Rot. Bonds10

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

6-chloro-N-[3-[3-[(6-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide (PubChem CID 10508201) has the molecular formula C33H29Cl2N7O2 and a molecular weight of 626.55 g/mol. Its IUPAC name is 6-chloro-N-[3-[3-[(6-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[3-[(6-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide
PubChem CID10508201
Molecular FormulaC33H29Cl2N7O2
Molecular Weight626.55 g/mol
Exact Mass625.18
IUPAC Name6-chloro-N-[3-[3-[(6-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide
SMILESCN(CCCNC(=O)c1cccc2nc3c(Cl)cccc3nc12)CCCNC(=O)c1cccc2nc3c(Cl)cccc3nc12
InChIInChI=1S/C33H29Cl2N7O2/c1-42(18-6-16-36-32(43)20-8-2-12-24-28(20)38-26-14-4-10-22(34)30(26)40-24)19-7-17-37-33(44)21-9-3-13-25-29(21)39-27-15-5-11-23(35)31(27)41-25/h2-5,8-15H,6-7,16-19H2,1H3,(H,36,43)(H,37,44)
InChIKeyMXTDPJAFFVWDIJ-UHFFFAOYSA-N
XLogP6.06
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.55
LogP ≤ 56.06
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-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
The IUPAC name of 6-chloro-N-[3-[3-[(6-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide (CID 10508201) is 6-chloro-N-[3-[3-[(6-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[3-[(6-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[3-[(6-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide is CN(CCCNC(=O)c1cccc2nc3c(Cl)cccc3nc12)CCCNC(=O)c1cccc2nc3c(Cl)cccc3nc12.
What is the InChIKey of 6-chloro-N-[3-[3-[(6-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
The InChIKey is MXTDPJAFFVWDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29Cl2N7O2/c1-42(18-6-16-36-32(43)20-8-2-12-24-28(20)38-26-14-4-10-22(34)30(26)40-24)19-7-17-37-33(44)21-9-3-13-25-29(21)39-27-15-5-11-23(35)31(27)41-25/h2-5,8-15H,6-7,16-19H2,1H3,(H,36,43)(H,37,44).
What are the key properties of 6-chloro-N-[3-[3-[(6-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
6-chloro-N-[3-[3-[(6-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide has a molecular weight of 626.55 g/mol, XLogP of 6.06, 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-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide is sourced from PubChem (CID 10508201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).