2-hydroxy-N-[1-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-7,8-dimethylphenazin-1-yl]ethylideneamino]benzamide

C32H28N6O4 — CID 6711660

IUPAC2-hydroxy-N-[1-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-7,8-dimethylphenazin-1-yl]ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1O)c1ccc(C(C)=NNC(=O)c2ccccc2O)c2nc3cc(C)c(C)cc3nc12
InChIInChI=1S/C32H28N6O4/c1-17-15-25-26(16-18(17)2)34-30-22(20(4)36-38-32(42)24-10-6-8-12-28(24)40)14-13-21(29(30)33-25)19(3)35-37-31(41)23-9-5-7-11-27(23)39/h5-16,39-40H,1-4H3,(H,37,41)(H,38,42)
InChIKeyMTNKZUCOJMPPED-UHFFFAOYSA-N
MW560.61 g/mol
LogP5.12
Rot. Bonds6

About 2-hydroxy-N-[1-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-7,8-dimethylphenazin-1-yl]ethylideneamino]benzamide

2-hydroxy-N-[1-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-7,8-dimethylphenazin-1-yl]ethylideneamino]benzamide (PubChem CID 6711660) has the molecular formula C32H28N6O4 and a molecular weight of 560.61 g/mol. Its IUPAC name is 2-hydroxy-N-[1-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-7,8-dimethylphenazin-1-yl]ethylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-7,8-dimethylphenazin-1-yl]ethylideneamino]benzamide
PubChem CID6711660
Molecular FormulaC32H28N6O4
Molecular Weight560.61 g/mol
Exact Mass560.22
IUPAC Name2-hydroxy-N-[1-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-7,8-dimethylphenazin-1-yl]ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1O)c1ccc(C(C)=NNC(=O)c2ccccc2O)c2nc3cc(C)c(C)cc3nc12
InChIInChI=1S/C32H28N6O4/c1-17-15-25-26(16-18(17)2)34-30-22(20(4)36-38-32(42)24-10-6-8-12-28(24)40)14-13-21(29(30)33-25)19(3)35-37-31(41)23-9-5-7-11-27(23)39/h5-16,39-40H,1-4H3,(H,37,41)(H,38,42)
InChIKeyMTNKZUCOJMPPED-UHFFFAOYSA-N
XLogP5.12
TPSA149.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.61
LogP ≤ 55.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135635825
2-hydroxy-N-[(Z)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135887717
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 137037552
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 8826111
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide
CID 136660084
N-[1-(2-hydroxyphenyl)ethylideneamino]-3-methylbenzamide
CID 715799

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-7,8-dimethylphenazin-1-yl]ethylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[1-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-7,8-dimethylphenazin-1-yl]ethylideneamino]benzamide (CID 6711660) is 2-hydroxy-N-[1-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-7,8-dimethylphenazin-1-yl]ethylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[1-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-7,8-dimethylphenazin-1-yl]ethylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[1-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-7,8-dimethylphenazin-1-yl]ethylideneamino]benzamide is CC(=NNC(=O)c1ccccc1O)c1ccc(C(C)=NNC(=O)c2ccccc2O)c2nc3cc(C)c(C)cc3nc12.
What is the InChIKey of 2-hydroxy-N-[1-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-7,8-dimethylphenazin-1-yl]ethylideneamino]benzamide?
The InChIKey is MTNKZUCOJMPPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N6O4/c1-17-15-25-26(16-18(17)2)34-30-22(20(4)36-38-32(42)24-10-6-8-12-28(24)40)14-13-21(29(30)33-25)19(3)35-37-31(41)23-9-5-7-11-27(23)39/h5-16,39-40H,1-4H3,(H,37,41)(H,38,42).
What are the key properties of 2-hydroxy-N-[1-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-7,8-dimethylphenazin-1-yl]ethylideneamino]benzamide?
2-hydroxy-N-[1-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-7,8-dimethylphenazin-1-yl]ethylideneamino]benzamide has a molecular weight of 560.61 g/mol, XLogP of 5.12, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-7,8-dimethylphenazin-1-yl]ethylideneamino]benzamide is sourced from PubChem (CID 6711660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).