1-(3-methoxybenzoyl)indole-3-carbohydrazide

C17H15N3O3 — CID 91690599

IUPAC1-(3-methoxybenzoyl)indole-3-carbohydrazide
SMILESCOc1cccc(C(=O)n2cc(C(=O)NN)c3ccccc32)c1
InChIInChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)17(22)20-10-14(16(21)19-18)13-7-2-3-8-15(13)20/h2-10H,18H2,1H3,(H,19,21)
InChIKeyICPGTKLVLBPJCJ-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.94
Rot. Bonds3

About 1-(3-methoxybenzoyl)indole-3-carbohydrazide

1-(3-methoxybenzoyl)indole-3-carbohydrazide (PubChem CID 91690599) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-(3-methoxybenzoyl)indole-3-carbohydrazide.

Molecular Properties

Compound Name1-(3-methoxybenzoyl)indole-3-carbohydrazide
PubChem CID91690599
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name1-(3-methoxybenzoyl)indole-3-carbohydrazide
SMILESCOc1cccc(C(=O)n2cc(C(=O)NN)c3ccccc32)c1
InChIInChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)17(22)20-10-14(16(21)19-18)13-7-2-3-8-15(13)20/h2-10H,18H2,1H3,(H,19,21)
InChIKeyICPGTKLVLBPJCJ-UHFFFAOYSA-N
XLogP1.94
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-3-nitrobenzoyl)indole-3-carbohydrazide
CID 91690734
methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate
CID 8779097
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
1-(3-propan-2-yloxybenzoyl)indole-3-carbonitrile
CID 90643210
1-[2-(4-bromophenoxy)-2-methylpropanoyl]indole-3-carbohydrazide
CID 99971117
methyl 1-(4-iodobenzoyl)indole-3-carboxylate
CID 1154177
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]indole-3-carboxamide
CID 47072758
1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione
CID 56956967
methyl 1-(2-phenoxyacetyl)indole-3-carboxylate
CID 4039555
1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide
CID 100817354
N-[1-(3-methoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554007
1-(2-methoxybenzoyl)indole-3-carboxamide
CID 91690536

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybenzoyl)indole-3-carbohydrazide?
The IUPAC name of 1-(3-methoxybenzoyl)indole-3-carbohydrazide (CID 91690599) is 1-(3-methoxybenzoyl)indole-3-carbohydrazide.
What is the SMILES notation for 1-(3-methoxybenzoyl)indole-3-carbohydrazide?
The canonical SMILES for 1-(3-methoxybenzoyl)indole-3-carbohydrazide is COc1cccc(C(=O)n2cc(C(=O)NN)c3ccccc32)c1.
What is the InChIKey of 1-(3-methoxybenzoyl)indole-3-carbohydrazide?
The InChIKey is ICPGTKLVLBPJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)17(22)20-10-14(16(21)19-18)13-7-2-3-8-15(13)20/h2-10H,18H2,1H3,(H,19,21).
What are the key properties of 1-(3-methoxybenzoyl)indole-3-carbohydrazide?
1-(3-methoxybenzoyl)indole-3-carbohydrazide has a molecular weight of 309.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybenzoyl)indole-3-carbohydrazide is sourced from PubChem (CID 91690599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).