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

C23H21ClN2O2 — CID 155513198

IUPAC4-chloro-1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-5H-phenanthridin-6-one
SMILESC[C@H](c1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4ccccc4c23)cc1)N(C)C
InChIInChI=1S/C23H21ClN2O2/c1-13(26(2)3)14-8-10-15(11-9-14)20-19(27)12-18(24)22-21(20)16-6-4-5-7-17(16)23(28)25-22/h4-13,27H,1-3H3,(H,25,28)/t13-/m1/s1
InChIKeyQJNUHHSEZLOTIY-CYBMUJFWSA-N
MW392.89 g/mol
LogP5.33
Rot. Bonds3

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

4-chloro-1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-5H-phenanthridin-6-one (PubChem CID 155513198) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 4-chloro-1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-5H-phenanthridin-6-one.

Molecular Properties

Compound Name4-chloro-1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-5H-phenanthridin-6-one
PubChem CID155513198
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name4-chloro-1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-5H-phenanthridin-6-one
SMILESC[C@H](c1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4ccccc4c23)cc1)N(C)C
InChIInChI=1S/C23H21ClN2O2/c1-13(26(2)3)14-8-10-15(11-9-14)20-19(27)12-18(24)22-21(20)16-6-4-5-7-17(16)23(28)25-22/h4-13,27H,1-3H3,(H,25,28)/t13-/m1/s1
InChIKeyQJNUHHSEZLOTIY-CYBMUJFWSA-N
XLogP5.33
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-5H-phenanthridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-5H-phenanthridin-6-one?
The IUPAC name of 4-chloro-1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-5H-phenanthridin-6-one (CID 155513198) is 4-chloro-1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-5H-phenanthridin-6-one.
What is the SMILES notation for 4-chloro-1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-5H-phenanthridin-6-one?
The canonical SMILES for 4-chloro-1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-5H-phenanthridin-6-one is C[C@H](c1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4ccccc4c23)cc1)N(C)C.
What is the InChIKey of 4-chloro-1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-5H-phenanthridin-6-one?
The InChIKey is QJNUHHSEZLOTIY-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-13(26(2)3)14-8-10-15(11-9-14)20-19(27)12-18(24)22-21(20)16-6-4-5-7-17(16)23(28)25-22/h4-13,27H,1-3H3,(H,25,28)/t13-/m1/s1.
What are the key properties of 4-chloro-1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-5H-phenanthridin-6-one?
4-chloro-1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-5H-phenanthridin-6-one has a molecular weight of 392.89 g/mol, XLogP of 5.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[4-[(1R)-1-(dimethylamino)ethyl]phenyl]-2-hydroxy-5H-phenanthridin-6-one is sourced from PubChem (CID 155513198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).