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

C25H26N2O2 — CID 155517160

IUPAC1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one
SMILESCc1cc(O)c(-c2ccc([C@@H](C)CN(C)C)cc2)c2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C25H26N2O2/c1-15-13-21(28)22(18-11-9-17(10-12-18)16(2)14-27(3)4)23-19-7-5-6-8-20(19)25(29)26-24(15)23/h5-13,16,28H,14H2,1-4H3,(H,26,29)/t16-/m0/s1
InChIKeyIDMBUPPWSYHDDY-INIZCTEOSA-N
MW386.50 g/mol
LogP5.03
Rot. Bonds4

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

1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one (PubChem CID 155517160) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one.

Molecular Properties

Compound Name1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one
PubChem CID155517160
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one
SMILESCc1cc(O)c(-c2ccc([C@@H](C)CN(C)C)cc2)c2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C25H26N2O2/c1-15-13-21(28)22(18-11-9-17(10-12-18)16(2)14-27(3)4)23-19-7-5-6-8-20(19)25(29)26-24(15)23/h5-13,16,28H,14H2,1-4H3,(H,26,29)/t16-/m0/s1
InChIKeyIDMBUPPWSYHDDY-INIZCTEOSA-N
XLogP5.03
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-chloro-1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-5H-phenanthridin-6-one
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1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one?
The IUPAC name of 1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one (CID 155517160) is 1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one.
What is the SMILES notation for 1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one?
The canonical SMILES for 1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one is Cc1cc(O)c(-c2ccc([C@@H](C)CN(C)C)cc2)c2c1[nH]c(=O)c1ccccc12.
What is the InChIKey of 1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one?
The InChIKey is IDMBUPPWSYHDDY-INIZCTEOSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-15-13-21(28)22(18-11-9-17(10-12-18)16(2)14-27(3)4)23-19-7-5-6-8-20(19)25(29)26-24(15)23/h5-13,16,28H,14H2,1-4H3,(H,26,29)/t16-/m0/s1.
What are the key properties of 1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one?
1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one has a molecular weight of 386.50 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-2-hydroxy-4-methyl-5H-phenanthridin-6-one is sourced from PubChem (CID 155517160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).