8-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride

C27H29ClN4O2 — CID 57435027

About 8-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride

8-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride (PubChem CID 57435027) has the molecular formula C27H29ClN4O2 and a molecular weight of 477.01 g/mol. Its IUPAC name is 8-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride.

Molecular Properties

• Compound Name: 8-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
• PubChem CID: 57435027
• Molecular Formula: C27H29ClN4O2
• Molecular Weight: 477.01 g/mol
• Exact Mass: 476.20
• IUPAC Name: 8-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
• SMILES: Cl.O=C1CC2(CCCC2)CC(=O)N1Cc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1
• InChI: InChI=1S/C27H28N4O2.ClH/c32-24-14-27(10-1-2-11-27)15-25(33)31(24)16-18-4-3-5-19(12-18)20-6-9-23-22(13-20)26(29-17-28-23)30-21-7-8-21;/h3-6,9,12-13,17,21H,1-2,7-8,10-11,14-16H2,(H,28,29,30);1H
• InChIKey: MZMARNRPEKQESA-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.01
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?

The IUPAC name of 8-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride (CID 57435027) is 8-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride.

What is the SMILES notation for 8-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?

The canonical SMILES for 8-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride is Cl.O=C1CC2(CCCC2)CC(=O)N1Cc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1.

What is the InChIKey of 8-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?

The InChIKey is MZMARNRPEKQESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2.ClH/c32-24-14-27(10-1-2-11-27)15-25(33)31(24)16-18-4-3-5-19(12-18)20-6-9-23-22(13-20)26(29-17-28-23)30-21-7-8-21;/h3-6,9,12-13,17,21H,1-2,7-8,10-11,14-16H2,(H,28,29,30);1H.

What are the key properties of 8-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?

8-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride has a molecular weight of 477.01 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride is sourced from PubChem (CID 57435027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).