2-hydrazinyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

C17H20N4O — CID 3112838

IUPAC2-hydrazinyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
SMILESCn1c(NN)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C17H20N4O/c1-21-15(22)13-14(19-16(21)20-18)12-7-3-2-6-11(12)10-17(13)8-4-5-9-17/h2-3,6-7H,4-5,8-10,18H2,1H3,(H,19,20)
InChIKeyKHAIKFIWHPKEEP-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.10
Rot. Bonds1

About 2-hydrazinyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

2-hydrazinyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one (PubChem CID 3112838) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-hydrazinyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name2-hydrazinyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
PubChem CID3112838
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-hydrazinyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
SMILESCn1c(NN)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C17H20N4O/c1-21-15(22)13-14(19-16(21)20-18)12-7-3-2-6-11(12)10-17(13)8-4-5-9-17/h2-3,6-7H,4-5,8-10,18H2,1H3,(H,19,20)
InChIKeyKHAIKFIWHPKEEP-UHFFFAOYSA-N
XLogP2.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.10
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-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The IUPAC name of 2-hydrazinyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one (CID 3112838) is 2-hydrazinyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
What is the SMILES notation for 2-hydrazinyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The canonical SMILES for 2-hydrazinyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one is Cn1c(NN)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2.
What is the InChIKey of 2-hydrazinyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The InChIKey is KHAIKFIWHPKEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-21-15(22)13-14(19-16(21)20-18)12-7-3-2-6-11(12)10-17(13)8-4-5-9-17/h2-3,6-7H,4-5,8-10,18H2,1H3,(H,19,20).
What are the key properties of 2-hydrazinyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
2-hydrazinyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one has a molecular weight of 296.37 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one is sourced from PubChem (CID 3112838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).