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

C17H20N4O — CID 135411690

IUPAC2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
SMILESNNc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C17H20N4O/c18-21-16-19-14-12-7-3-2-6-11(12)10-17(8-4-1-5-9-17)13(14)15(22)20-16/h2-3,6-7H,1,4-5,8-10,18H2,(H2,19,20,21,22)
InChIKeyNNCFSJURJWWRPW-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.48
Rot. Bonds1

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

2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one (PubChem CID 135411690) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
PubChem CID135411690
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
SMILESNNc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C17H20N4O/c18-21-16-19-14-12-7-3-2-6-11(12)10-17(8-4-1-5-9-17)13(14)15(22)20-16/h2-3,6-7H,1,4-5,8-10,18H2,(H2,19,20,21,22)
InChIKeyNNCFSJURJWWRPW-UHFFFAOYSA-N
XLogP2.48
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.48
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'-cyclohexane]-4-one?
The IUPAC name of 2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one (CID 135411690) is 2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one.
What is the SMILES notation for 2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The canonical SMILES for 2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one is NNc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2.
What is the InChIKey of 2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The InChIKey is NNCFSJURJWWRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c18-21-16-19-14-12-7-3-2-6-11(12)10-17(8-4-1-5-9-17)13(14)15(22)20-16/h2-3,6-7H,1,4-5,8-10,18H2,(H2,19,20,21,22).
What are the key properties of 2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one?
2-hydrazinylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one has a molecular weight of 296.37 g/mol, XLogP of 2.48, 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'-cyclohexane]-4-one is sourced from PubChem (CID 135411690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).