N-[4-amino-5-[(3-chlorophenazine-1-carbonyl)amino]heptan-3-yl]-3-chlorophenazine-1-carboxamide

C33H29Cl2N7O2 — CID 23299931

IUPACN-[4-amino-5-[(3-chlorophenazine-1-carbonyl)amino]heptan-3-yl]-3-chlorophenazine-1-carboxamide
SMILESCCC(NC(=O)c1cc(Cl)cc2nc3ccccc3nc12)C(N)C(CC)NC(=O)c1cc(Cl)cc2nc3ccccc3nc12
InChIInChI=1S/C33H29Cl2N7O2/c1-3-21(41-32(43)19-13-17(34)15-27-30(19)39-25-11-7-5-9-23(25)37-27)29(36)22(4-2)42-33(44)20-14-18(35)16-28-31(20)40-26-12-8-6-10-24(26)38-28/h5-16,21-22,29H,3-4,36H2,1-2H3,(H,41,43)(H,42,44)
InChIKeyFWOVMSKUFSLRMV-UHFFFAOYSA-N
MW626.55 g/mol
LogP6.23
Rot. Bonds8

About N-[4-amino-5-[(3-chlorophenazine-1-carbonyl)amino]heptan-3-yl]-3-chlorophenazine-1-carboxamide

N-[4-amino-5-[(3-chlorophenazine-1-carbonyl)amino]heptan-3-yl]-3-chlorophenazine-1-carboxamide (PubChem CID 23299931) has the molecular formula C33H29Cl2N7O2 and a molecular weight of 626.55 g/mol. Its IUPAC name is N-[4-amino-5-[(3-chlorophenazine-1-carbonyl)amino]heptan-3-yl]-3-chlorophenazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-amino-5-[(3-chlorophenazine-1-carbonyl)amino]heptan-3-yl]-3-chlorophenazine-1-carboxamide
PubChem CID23299931
Molecular FormulaC33H29Cl2N7O2
Molecular Weight626.55 g/mol
Exact Mass625.18
IUPAC NameN-[4-amino-5-[(3-chlorophenazine-1-carbonyl)amino]heptan-3-yl]-3-chlorophenazine-1-carboxamide
SMILESCCC(NC(=O)c1cc(Cl)cc2nc3ccccc3nc12)C(N)C(CC)NC(=O)c1cc(Cl)cc2nc3ccccc3nc12
InChIInChI=1S/C33H29Cl2N7O2/c1-3-21(41-32(43)19-13-17(34)15-27-30(19)39-25-11-7-5-9-23(25)37-27)29(36)22(4-2)42-33(44)20-14-18(35)16-28-31(20)40-26-12-8-6-10-24(26)38-28/h5-16,21-22,29H,3-4,36H2,1-2H3,(H,41,43)(H,42,44)
InChIKeyFWOVMSKUFSLRMV-UHFFFAOYSA-N
XLogP6.23
TPSA135.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.55
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-5-[(3-chlorophenazine-1-carbonyl)amino]heptan-3-yl]-3-chlorophenazine-1-carboxamide?
The IUPAC name of N-[4-amino-5-[(3-chlorophenazine-1-carbonyl)amino]heptan-3-yl]-3-chlorophenazine-1-carboxamide (CID 23299931) is N-[4-amino-5-[(3-chlorophenazine-1-carbonyl)amino]heptan-3-yl]-3-chlorophenazine-1-carboxamide.
What is the SMILES notation for N-[4-amino-5-[(3-chlorophenazine-1-carbonyl)amino]heptan-3-yl]-3-chlorophenazine-1-carboxamide?
The canonical SMILES for N-[4-amino-5-[(3-chlorophenazine-1-carbonyl)amino]heptan-3-yl]-3-chlorophenazine-1-carboxamide is CCC(NC(=O)c1cc(Cl)cc2nc3ccccc3nc12)C(N)C(CC)NC(=O)c1cc(Cl)cc2nc3ccccc3nc12.
What is the InChIKey of N-[4-amino-5-[(3-chlorophenazine-1-carbonyl)amino]heptan-3-yl]-3-chlorophenazine-1-carboxamide?
The InChIKey is FWOVMSKUFSLRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29Cl2N7O2/c1-3-21(41-32(43)19-13-17(34)15-27-30(19)39-25-11-7-5-9-23(25)37-27)29(36)22(4-2)42-33(44)20-14-18(35)16-28-31(20)40-26-12-8-6-10-24(26)38-28/h5-16,21-22,29H,3-4,36H2,1-2H3,(H,41,43)(H,42,44).
What are the key properties of N-[4-amino-5-[(3-chlorophenazine-1-carbonyl)amino]heptan-3-yl]-3-chlorophenazine-1-carboxamide?
N-[4-amino-5-[(3-chlorophenazine-1-carbonyl)amino]heptan-3-yl]-3-chlorophenazine-1-carboxamide has a molecular weight of 626.55 g/mol, XLogP of 6.23, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-5-[(3-chlorophenazine-1-carbonyl)amino]heptan-3-yl]-3-chlorophenazine-1-carboxamide is sourced from PubChem (CID 23299931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).