2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol

C18H15N3O3 — CID 135716763

IUPAC2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol
SMILESC/C(=N\Nc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1O
InChIInChI=1S/C18H15N3O3/c1-12(19-20-16-8-4-5-9-17(16)21(23)24)14-11-10-13-6-2-3-7-15(13)18(14)22/h2-11,20,22H,1H3/b19-12+
InChIKeyFYZPAFJLBLEDNV-XDHOZWIPSA-N
MW321.34 g/mol
LogP4.29
Rot. Bonds4

About 2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol

2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol (PubChem CID 135716763) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol
PubChem CID135716763
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol
SMILESC/C(=N\Nc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1O
InChIInChI=1S/C18H15N3O3/c1-12(19-20-16-8-4-5-9-17(16)21(23)24)14-11-10-13-6-2-3-7-15(13)18(14)22/h2-11,20,22H,1H3/b19-12+
InChIKeyFYZPAFJLBLEDNV-XDHOZWIPSA-N
XLogP4.29
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-3-nitrophenyl]sulfonylamino]benzoic acid
CID 4854177
2-[(Z)-C-methyl-N-(2-nitroanilino)carbonimidoyl]phenol
CID 135403129
2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline
CID 9059014
N-[1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-4-methyl-3-nitrobenzenesulfonamide
CID 5032601
2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]benzene-1,3-diol;hydrate
CID 139083211
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline
CID 9059030
N-(2,4-dimethylphenyl)-2-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 3292765
N-[(E)-3-methylbutan-2-ylideneamino]-2-nitroaniline
CID 12591072
2-nitro-N-[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline
CID 6006376
2-hydroxy-N-[(Z)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135887717
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-nitroaniline
CID 9059152
2-(C,N-dimethylcarbonimidoyl)naphthalen-1-ol
CID 135790005

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol?
The IUPAC name of 2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol (CID 135716763) is 2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol?
The canonical SMILES for 2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol is C/C(=N\Nc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1O.
What is the InChIKey of 2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol?
The InChIKey is FYZPAFJLBLEDNV-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-12(19-20-16-8-4-5-9-17(16)21(23)24)14-11-10-13-6-2-3-7-15(13)18(14)22/h2-11,20,22H,1H3/b19-12+.
What are the key properties of 2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol?
2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol has a molecular weight of 321.34 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol is sourced from PubChem (CID 135716763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).