(3-fluoro-4-hydroxyphenyl)-[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]methanone

C21H15F2NO2 — CID 11688888

IUPAC(3-fluoro-4-hydroxyphenyl)-[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]methanone
SMILESC[C@H]1c2cc(F)ccc2-c2ccccc2N1C(=O)c1ccc(O)c(F)c1
InChIInChI=1S/C21H15F2NO2/c1-12-17-11-14(22)7-8-15(17)16-4-2-3-5-19(16)24(12)21(26)13-6-9-20(25)18(23)10-13/h2-12,25H,1H3/t12-/m0/s1
InChIKeyQNBAMOAFSPQFFH-LBPRGKRZSA-N
MW351.35 g/mol
LogP5.06
Rot. Bonds1

About (3-fluoro-4-hydroxyphenyl)-[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]methanone

(3-fluoro-4-hydroxyphenyl)-[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]methanone (PubChem CID 11688888) has the molecular formula C21H15F2NO2 and a molecular weight of 351.35 g/mol. Its IUPAC name is (3-fluoro-4-hydroxyphenyl)-[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-hydroxyphenyl)-[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]methanone
PubChem CID11688888
Molecular FormulaC21H15F2NO2
Molecular Weight351.35 g/mol
Exact Mass351.11
IUPAC Name(3-fluoro-4-hydroxyphenyl)-[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]methanone
SMILESC[C@H]1c2cc(F)ccc2-c2ccccc2N1C(=O)c1ccc(O)c(F)c1
InChIInChI=1S/C21H15F2NO2/c1-12-17-11-14(22)7-8-15(17)16-4-2-3-5-19(16)24(12)21(26)13-6-9-20(25)18(23)10-13/h2-12,25H,1H3/t12-/m0/s1
InChIKeyQNBAMOAFSPQFFH-LBPRGKRZSA-N
XLogP5.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.35
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-fluoro-4-hydroxyphenyl)-[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]methanone 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 (3-fluoro-4-hydroxyphenyl)-[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]methanone?
The IUPAC name of (3-fluoro-4-hydroxyphenyl)-[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]methanone (CID 11688888) is (3-fluoro-4-hydroxyphenyl)-[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]methanone.
What is the SMILES notation for (3-fluoro-4-hydroxyphenyl)-[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]methanone?
The canonical SMILES for (3-fluoro-4-hydroxyphenyl)-[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]methanone is C[C@H]1c2cc(F)ccc2-c2ccccc2N1C(=O)c1ccc(O)c(F)c1.
What is the InChIKey of (3-fluoro-4-hydroxyphenyl)-[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]methanone?
The InChIKey is QNBAMOAFSPQFFH-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H15F2NO2/c1-12-17-11-14(22)7-8-15(17)16-4-2-3-5-19(16)24(12)21(26)13-6-9-20(25)18(23)10-13/h2-12,25H,1H3/t12-/m0/s1.
What are the key properties of (3-fluoro-4-hydroxyphenyl)-[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]methanone?
(3-fluoro-4-hydroxyphenyl)-[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]methanone has a molecular weight of 351.35 g/mol, XLogP of 5.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-hydroxyphenyl)-[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]methanone is sourced from PubChem (CID 11688888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).