1-(4-methoxy-3-nitrobenzoyl)indole-3-carbohydrazide

C17H14N4O5 — CID 91690734

IUPAC1-(4-methoxy-3-nitrobenzoyl)indole-3-carbohydrazide
SMILESCOc1ccc(C(=O)n2cc(C(=O)NN)c3ccccc32)cc1[N+](=O)[O-]
InChIInChI=1S/C17H14N4O5/c1-26-15-7-6-10(8-14(15)21(24)25)17(23)20-9-12(16(22)19-18)11-4-2-3-5-13(11)20/h2-9H,18H2,1H3,(H,19,22)
InChIKeyOWRDJYOFLNAVCY-UHFFFAOYSA-N
MW354.32 g/mol
LogP1.85
Rot. Bonds4

About 1-(4-methoxy-3-nitrobenzoyl)indole-3-carbohydrazide

1-(4-methoxy-3-nitrobenzoyl)indole-3-carbohydrazide (PubChem CID 91690734) has the molecular formula C17H14N4O5 and a molecular weight of 354.32 g/mol. Its IUPAC name is 1-(4-methoxy-3-nitrobenzoyl)indole-3-carbohydrazide.

Molecular Properties

Compound Name1-(4-methoxy-3-nitrobenzoyl)indole-3-carbohydrazide
PubChem CID91690734
Molecular FormulaC17H14N4O5
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC Name1-(4-methoxy-3-nitrobenzoyl)indole-3-carbohydrazide
SMILESCOc1ccc(C(=O)n2cc(C(=O)NN)c3ccccc32)cc1[N+](=O)[O-]
InChIInChI=1S/C17H14N4O5/c1-26-15-7-6-10(8-14(15)21(24)25)17(23)20-9-12(16(22)19-18)11-4-2-3-5-13(11)20/h2-9H,18H2,1H3,(H,19,22)
InChIKeyOWRDJYOFLNAVCY-UHFFFAOYSA-N
XLogP1.85
TPSA129.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

1-(4-bromo-3-nitrobenzoyl)indole-3-carboxamide
CID 91690797
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
N-[(3-carbamoylphenyl)methyl]-4-methoxy-3-nitrobenzamide
CID 32636593
[3-(hydroxymethyl)indol-1-yl]-(3-methyl-4-nitrophenyl)methanone
CID 91690830
1-[5-(4-methoxy-3-nitrophenyl)furan-2-carbonyl]indole-3-carbonitrile
CID 91689497
4-methoxy-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 42031359
2-amino-1-(4-methoxy-3-nitrophenyl)ethanone
CID 7176072
1-(2-fluorobenzoyl)indole-3-carbohydrazide
CID 91690349
N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide
CID 7948545
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
4-methoxy-3,5-dinitrobenzohydrazide
CID 4298975

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-nitrobenzoyl)indole-3-carbohydrazide?
The IUPAC name of 1-(4-methoxy-3-nitrobenzoyl)indole-3-carbohydrazide (CID 91690734) is 1-(4-methoxy-3-nitrobenzoyl)indole-3-carbohydrazide.
What is the SMILES notation for 1-(4-methoxy-3-nitrobenzoyl)indole-3-carbohydrazide?
The canonical SMILES for 1-(4-methoxy-3-nitrobenzoyl)indole-3-carbohydrazide is COc1ccc(C(=O)n2cc(C(=O)NN)c3ccccc32)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-methoxy-3-nitrobenzoyl)indole-3-carbohydrazide?
The InChIKey is OWRDJYOFLNAVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5/c1-26-15-7-6-10(8-14(15)21(24)25)17(23)20-9-12(16(22)19-18)11-4-2-3-5-13(11)20/h2-9H,18H2,1H3,(H,19,22).
What are the key properties of 1-(4-methoxy-3-nitrobenzoyl)indole-3-carbohydrazide?
1-(4-methoxy-3-nitrobenzoyl)indole-3-carbohydrazide has a molecular weight of 354.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-nitrobenzoyl)indole-3-carbohydrazide is sourced from PubChem (CID 91690734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).