1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one

C₂₄H₂₄N₂O₂ — CID 155522075

About 1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one

1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one (PubChem CID 155522075) has the molecular formula C₂₄H₂₄N₂O₂ and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one.

Molecular Properties

• Compound Name: 1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one
• PubChem CID: 155522075
• Molecular Formula: C₂₄H₂₄N₂O₂
• Molecular Weight: 372.47 g/mol
• Exact Mass: 372.18
• IUPAC Name: 1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one
• SMILES: Cc1cc(O)c(-c2ccc([C@@H](C)N(C)C)cc2)c2c1[nH]c(=O)c1ccccc12
• InChI: InChI=1S/C24H24N2O2/c1-14-13-20(27)21(17-11-9-16(10-12-17)15(2)26(3)4)22-18-7-5-6-8-19(18)24(28)25-23(14)22/h5-13,15,27H,1-4H3,(H,25,28)/t15-/m1/s1
• InChIKey: KBQRGBIDUBDEQP-OAHLLOKOSA-N
• XLogP: 4.98
• TPSA: 56.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.47
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
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-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one?

The IUPAC name of 1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one (CID 155522075) is 1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one.

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

The canonical SMILES for 1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one is Cc1cc(O)c(-c2ccc([C@@H](C)N(C)C)cc2)c2c1[nH]c(=O)c1ccccc12.

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

The InChIKey is KBQRGBIDUBDEQP-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-14-13-20(27)21(17-11-9-16(10-12-17)15(2)26(3)4)22-18-7-5-6-8-19(18)24(28)25-23(14)22/h5-13,15,27H,1-4H3,(H,25,28)/t15-/m1/s1.

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

1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one has a molecular weight of 372.47 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one is sourced from PubChem (CID 155522075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155522075 — identifiers, structure, computed properties (public domain)

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