2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one

C16H18N4O — CID 135472611

IUPAC2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
SMILESNNc1nc2c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C16H18N4O/c17-20-15-18-13-11-6-2-1-5-10(11)9-16(7-3-4-8-16)12(13)14(21)19-15/h1-2,5-6H,3-4,7-9,17H2,(H2,18,19,20,21)
InChIKeyGSKOQLHNGFEFNY-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.09
Rot. Bonds1

About 2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one

2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one (PubChem CID 135472611) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
PubChem CID135472611
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
SMILESNNc1nc2c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C16H18N4O/c17-20-15-18-13-11-6-2-1-5-10(11)9-16(7-3-4-8-16)12(13)14(21)19-15/h1-2,5-6H,3-4,7-9,17H2,(H2,18,19,20,21)
InChIKeyGSKOQLHNGFEFNY-UHFFFAOYSA-N
XLogP2.09
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The IUPAC name of 2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one (CID 135472611) is 2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one.
What is the SMILES notation for 2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The canonical SMILES for 2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one is NNc1nc2c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-2.
What is the InChIKey of 2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The InChIKey is GSKOQLHNGFEFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-20-15-18-13-11-6-2-1-5-10(11)9-16(7-3-4-8-16)12(13)14(21)19-15/h1-2,5-6H,3-4,7-9,17H2,(H2,18,19,20,21).
What are the key properties of 2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one has a molecular weight of 282.35 g/mol, XLogP of 2.09, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one is sourced from PubChem (CID 135472611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).