N'-(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)benzohydrazide

C24H24N4O2 — CID 135408350

IUPACN'-(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)benzohydrazide
SMILESO=C(NNc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2)c1ccccc1
InChIInChI=1S/C24H24N4O2/c29-21(16-9-3-1-4-10-16)27-28-23-25-20-18-12-6-5-11-17(18)15-24(13-7-2-8-14-24)19(20)22(30)26-23/h1,3-6,9-12H,2,7-8,13-15H2,(H,27,29)(H2,25,26,28,30)
InChIKeyHONCPXBUKQNSSN-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.95
Rot. Bonds3

About N'-(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)benzohydrazide

N'-(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)benzohydrazide (PubChem CID 135408350) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N'-(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)benzohydrazide
PubChem CID135408350
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN'-(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)benzohydrazide
SMILESO=C(NNc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2)c1ccccc1
InChIInChI=1S/C24H24N4O2/c29-21(16-9-3-1-4-10-16)27-28-23-25-20-18-12-6-5-11-17(18)15-24(13-7-2-8-14-24)19(20)22(30)26-23/h1,3-6,9-12H,2,7-8,13-15H2,(H,27,29)(H2,25,26,28,30)
InChIKeyHONCPXBUKQNSSN-UHFFFAOYSA-N
XLogP3.95
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)benzohydrazide?
The IUPAC name of N'-(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)benzohydrazide (CID 135408350) is N'-(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)benzohydrazide.
What is the SMILES notation for N'-(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)benzohydrazide?
The canonical SMILES for N'-(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)benzohydrazide is O=C(NNc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2)c1ccccc1.
What is the InChIKey of N'-(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)benzohydrazide?
The InChIKey is HONCPXBUKQNSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-21(16-9-3-1-4-10-16)27-28-23-25-20-18-12-6-5-11-17(18)15-24(13-7-2-8-14-24)19(20)22(30)26-23/h1,3-6,9-12H,2,7-8,13-15H2,(H,27,29)(H2,25,26,28,30).
What are the key properties of N'-(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)benzohydrazide?
N'-(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)benzohydrazide has a molecular weight of 400.48 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-oxospiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)benzohydrazide is sourced from PubChem (CID 135408350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).