2-hydrazinyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

C23H24N4O — CID 1359211

IUPAC2-hydrazinyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
SMILESCc1ccc(-n2c(NN)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)cc1
InChIInChI=1S/C23H24N4O/c1-15-8-10-17(11-9-15)27-21(28)19-20(25-22(27)26-24)18-7-3-2-6-16(18)14-23(19)12-4-5-13-23/h2-3,6-11H,4-5,12-14,24H2,1H3,(H,25,26)
InChIKeyOEVODFPDVOJUEU-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.86
Rot. Bonds2

About 2-hydrazinyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

2-hydrazinyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one (PubChem CID 1359211) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-hydrazinyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name2-hydrazinyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
PubChem CID1359211
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-hydrazinyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
SMILESCc1ccc(-n2c(NN)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)cc1
InChIInChI=1S/C23H24N4O/c1-15-8-10-17(11-9-15)27-21(28)19-20(25-22(27)26-24)18-7-3-2-6-16(18)14-23(19)12-4-5-13-23/h2-3,6-11H,4-5,12-14,24H2,1H3,(H,25,26)
InChIKeyOEVODFPDVOJUEU-UHFFFAOYSA-N
XLogP3.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
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 2-hydrazinyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The IUPAC name of 2-hydrazinyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one (CID 1359211) is 2-hydrazinyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
What is the SMILES notation for 2-hydrazinyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The canonical SMILES for 2-hydrazinyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one is Cc1ccc(-n2c(NN)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)cc1.
What is the InChIKey of 2-hydrazinyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The InChIKey is OEVODFPDVOJUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-15-8-10-17(11-9-15)27-21(28)19-20(25-22(27)26-24)18-7-3-2-6-16(18)14-23(19)12-4-5-13-23/h2-3,6-11H,4-5,12-14,24H2,1H3,(H,25,26).
What are the key properties of 2-hydrazinyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
2-hydrazinyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one has a molecular weight of 372.47 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one is sourced from PubChem (CID 1359211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).