(1R)-8-fluoro-1-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]-2,3,4,5-tetrahydro-1H-phenanthridin-6-one

C23H25FN2O2 — CID 171750587

IUPAC(1R)-8-fluoro-1-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]-2,3,4,5-tetrahydro-1H-phenanthridin-6-one
SMILESCOc1ccc([C@@H](C)N(C)[C@@H]2CCCc3[nH]c(=O)c4cc(F)ccc4c32)cc1
InChIInChI=1S/C23H25FN2O2/c1-14(15-7-10-17(28-3)11-8-15)26(2)21-6-4-5-20-22(21)18-12-9-16(24)13-19(18)23(27)25-20/h7-14,21H,4-6H2,1-3H3,(H,25,27)/t14-,21-/m1/s1
InChIKeyHBIURCHYTHLOMK-SPLOXXLWSA-N
MW380.46 g/mol
LogP4.75
Rot. Bonds4

About (1R)-8-fluoro-1-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]-2,3,4,5-tetrahydro-1H-phenanthridin-6-one

(1R)-8-fluoro-1-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]-2,3,4,5-tetrahydro-1H-phenanthridin-6-one (PubChem CID 171750587) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is (1R)-8-fluoro-1-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]-2,3,4,5-tetrahydro-1H-phenanthridin-6-one.

Molecular Properties

Compound Name(1R)-8-fluoro-1-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]-2,3,4,5-tetrahydro-1H-phenanthridin-6-one
PubChem CID171750587
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name(1R)-8-fluoro-1-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]-2,3,4,5-tetrahydro-1H-phenanthridin-6-one
SMILESCOc1ccc([C@@H](C)N(C)[C@@H]2CCCc3[nH]c(=O)c4cc(F)ccc4c32)cc1
InChIInChI=1S/C23H25FN2O2/c1-14(15-7-10-17(28-3)11-8-15)26(2)21-6-4-5-20-22(21)18-12-9-16(24)13-19(18)23(27)25-20/h7-14,21H,4-6H2,1-3H3,(H,25,27)/t14-,21-/m1/s1
InChIKeyHBIURCHYTHLOMK-SPLOXXLWSA-N
XLogP4.75
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-8-fluoro-1-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]-2,3,4,5-tetrahydro-1H-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 (1R)-8-fluoro-1-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]-2,3,4,5-tetrahydro-1H-phenanthridin-6-one?
The IUPAC name of (1R)-8-fluoro-1-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]-2,3,4,5-tetrahydro-1H-phenanthridin-6-one (CID 171750587) is (1R)-8-fluoro-1-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]-2,3,4,5-tetrahydro-1H-phenanthridin-6-one.
What is the SMILES notation for (1R)-8-fluoro-1-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]-2,3,4,5-tetrahydro-1H-phenanthridin-6-one?
The canonical SMILES for (1R)-8-fluoro-1-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]-2,3,4,5-tetrahydro-1H-phenanthridin-6-one is COc1ccc([C@@H](C)N(C)[C@@H]2CCCc3[nH]c(=O)c4cc(F)ccc4c32)cc1.
What is the InChIKey of (1R)-8-fluoro-1-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]-2,3,4,5-tetrahydro-1H-phenanthridin-6-one?
The InChIKey is HBIURCHYTHLOMK-SPLOXXLWSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-14(15-7-10-17(28-3)11-8-15)26(2)21-6-4-5-20-22(21)18-12-9-16(24)13-19(18)23(27)25-20/h7-14,21H,4-6H2,1-3H3,(H,25,27)/t14-,21-/m1/s1.
What are the key properties of (1R)-8-fluoro-1-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]-2,3,4,5-tetrahydro-1H-phenanthridin-6-one?
(1R)-8-fluoro-1-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]-2,3,4,5-tetrahydro-1H-phenanthridin-6-one has a molecular weight of 380.46 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-8-fluoro-1-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]-2,3,4,5-tetrahydro-1H-phenanthridin-6-one is sourced from PubChem (CID 171750587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).