1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one

C₂₄H₂₂N₂O₂ — CID 155526840

About 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one

1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one (PubChem CID 155526840) has the molecular formula C₂₄H₂₂N₂O₂ and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one.

Molecular Properties

• Compound Name: 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one
• PubChem CID: 155526840
• Molecular Formula: C₂₄H₂₂N₂O₂
• Molecular Weight: 370.45 g/mol
• Exact Mass: 370.17
• IUPAC Name: 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one
• SMILES: Cc1cc(O)c(-c2ccc(C3(CN)CC3)cc2)c2c1[nH]c(=O)c1ccccc12
• InChI: InChI=1S/C24H22N2O2/c1-14-12-19(27)20(15-6-8-16(9-7-15)24(13-25)10-11-24)21-17-4-2-3-5-18(17)23(28)26-22(14)21/h2-9,12,27H,10-11,13,25H2,1H3,(H,26,28)
• InChIKey: AIOQBMZRABXSCF-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 79.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.45
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one?

The IUPAC name of 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one (CID 155526840) is 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one.

What is the SMILES notation for 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one?

The canonical SMILES for 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one is Cc1cc(O)c(-c2ccc(C3(CN)CC3)cc2)c2c1[nH]c(=O)c1ccccc12.

What is the InChIKey of 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one?

The InChIKey is AIOQBMZRABXSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-14-12-19(27)20(15-6-8-16(9-7-15)24(13-25)10-11-24)21-17-4-2-3-5-18(17)23(28)26-22(14)21/h2-9,12,27H,10-11,13,25H2,1H3,(H,26,28).

What are the key properties of 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one?

1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one has a molecular weight of 370.45 g/mol, XLogP of 4.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one is sourced from PubChem (CID 155526840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155526840 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.