4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzohydrazide

C19H15N3O2 — CID 2435396

IUPAC4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C19H15N3O2/c20-21-18(23)14-9-7-12(8-10-14)11-22-16-6-2-4-13-3-1-5-15(17(13)16)19(22)24/h1-10H,11,20H2,(H,21,23)
InChIKeyRTPSSVUZFOCYHZ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.60
Rot. Bonds3

About 4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzohydrazide

4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzohydrazide (PubChem CID 2435396) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzohydrazide
PubChem CID2435396
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C19H15N3O2/c20-21-18(23)14-9-7-12(8-10-14)11-22-16-6-2-4-13-3-1-5-15(17(13)16)19(22)24/h1-10H,11,20H2,(H,21,23)
InChIKeyRTPSSVUZFOCYHZ-UHFFFAOYSA-N
XLogP2.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzohydrazide?
The IUPAC name of 4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzohydrazide (CID 2435396) is 4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzohydrazide?
The canonical SMILES for 4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzohydrazide is NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1.
What is the InChIKey of 4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzohydrazide?
The InChIKey is RTPSSVUZFOCYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c20-21-18(23)14-9-7-12(8-10-14)11-22-16-6-2-4-13-3-1-5-15(17(13)16)19(22)24/h1-10H,11,20H2,(H,21,23).
What are the key properties of 4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzohydrazide?
4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzohydrazide has a molecular weight of 317.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 2435396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).