3-benzyl-5,5-diethyl-2-hydrazinyl-6H-benzo[h]quinazolin-4-one

C23H26N4O — CID 1355800

IUPAC3-benzyl-5,5-diethyl-2-hydrazinyl-6H-benzo[h]quinazolin-4-one
SMILESCCC1(CC)Cc2ccccc2-c2nc(NN)n(Cc3ccccc3)c(=O)c21
InChIInChI=1S/C23H26N4O/c1-3-23(4-2)14-17-12-8-9-13-18(17)20-19(23)21(28)27(22(25-20)26-24)15-16-10-6-5-7-11-16/h5-13H,3-4,14-15,24H2,1-2H3,(H,25,26)
InChIKeyNWRNENCHHFBJIY-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.86
Rot. Bonds5

About 3-benzyl-5,5-diethyl-2-hydrazinyl-6H-benzo[h]quinazolin-4-one

3-benzyl-5,5-diethyl-2-hydrazinyl-6H-benzo[h]quinazolin-4-one (PubChem CID 1355800) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-benzyl-5,5-diethyl-2-hydrazinyl-6H-benzo[h]quinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-5,5-diethyl-2-hydrazinyl-6H-benzo[h]quinazolin-4-one
PubChem CID1355800
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name3-benzyl-5,5-diethyl-2-hydrazinyl-6H-benzo[h]quinazolin-4-one
SMILESCCC1(CC)Cc2ccccc2-c2nc(NN)n(Cc3ccccc3)c(=O)c21
InChIInChI=1S/C23H26N4O/c1-3-23(4-2)14-17-12-8-9-13-18(17)20-19(23)21(28)27(22(25-20)26-24)15-16-10-6-5-7-11-16/h5-13H,3-4,14-15,24H2,1-2H3,(H,25,26)
InChIKeyNWRNENCHHFBJIY-UHFFFAOYSA-N
XLogP3.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 3-benzyl-5,5-diethyl-2-hydrazinyl-6H-benzo[h]quinazolin-4-one?
The IUPAC name of 3-benzyl-5,5-diethyl-2-hydrazinyl-6H-benzo[h]quinazolin-4-one (CID 1355800) is 3-benzyl-5,5-diethyl-2-hydrazinyl-6H-benzo[h]quinazolin-4-one.
What is the SMILES notation for 3-benzyl-5,5-diethyl-2-hydrazinyl-6H-benzo[h]quinazolin-4-one?
The canonical SMILES for 3-benzyl-5,5-diethyl-2-hydrazinyl-6H-benzo[h]quinazolin-4-one is CCC1(CC)Cc2ccccc2-c2nc(NN)n(Cc3ccccc3)c(=O)c21.
What is the InChIKey of 3-benzyl-5,5-diethyl-2-hydrazinyl-6H-benzo[h]quinazolin-4-one?
The InChIKey is NWRNENCHHFBJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-3-23(4-2)14-17-12-8-9-13-18(17)20-19(23)21(28)27(22(25-20)26-24)15-16-10-6-5-7-11-16/h5-13H,3-4,14-15,24H2,1-2H3,(H,25,26).
What are the key properties of 3-benzyl-5,5-diethyl-2-hydrazinyl-6H-benzo[h]quinazolin-4-one?
3-benzyl-5,5-diethyl-2-hydrazinyl-6H-benzo[h]quinazolin-4-one has a molecular weight of 374.49 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5,5-diethyl-2-hydrazinyl-6H-benzo[h]quinazolin-4-one is sourced from PubChem (CID 1355800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).