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

C21H16FNO2 — CID 11674380

IUPAC[(6S)-3-fluoro-6-methyl-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone
SMILESC[C@H]1c2ccccc2-c2ccc(F)cc2N1C(=O)c1ccc(O)cc1
InChIInChI=1S/C21H16FNO2/c1-13-17-4-2-3-5-18(17)19-11-8-15(22)12-20(19)23(13)21(25)14-6-9-16(24)10-7-14/h2-13,24H,1H3/t13-/m0/s1
InChIKeyZBYHMYARAVSEFD-ZDUSSCGKSA-N
MW333.36 g/mol
LogP4.92
Rot. Bonds1

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

[(6S)-3-fluoro-6-methyl-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone (PubChem CID 11674380) has the molecular formula C21H16FNO2 and a molecular weight of 333.36 g/mol. Its IUPAC name is [(6S)-3-fluoro-6-methyl-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[(6S)-3-fluoro-6-methyl-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone
PubChem CID11674380
Molecular FormulaC21H16FNO2
Molecular Weight333.36 g/mol
Exact Mass333.12
IUPAC Name[(6S)-3-fluoro-6-methyl-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone
SMILESC[C@H]1c2ccccc2-c2ccc(F)cc2N1C(=O)c1ccc(O)cc1
InChIInChI=1S/C21H16FNO2/c1-13-17-4-2-3-5-18(17)19-11-8-15(22)12-20(19)23(13)21(25)14-6-9-16(24)10-7-14/h2-13,24H,1H3/t13-/m0/s1
InChIKeyZBYHMYARAVSEFD-ZDUSSCGKSA-N
XLogP4.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxy-N-(2-(2-(1-methyl-2-piperidinyl)ethyl)phenyl)benzamide
CID 54736
N-(1-(4-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 3135989
(+/-)-N-(2-methyl-1-(4-(trifluoromethoxy)benzoyl)-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 46879319
(2,4-dihydroxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 117967655
(2,4-dihydroxyphenyl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 117967696
(2,4-dihydroxyphenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 117968039
[4-(4-Fluorophenyl)piperazin-1-yl]-[3-(4-hydroxyphenyl)phenyl]methanone
CID 2106289
(E)-3-[4-(6-Hydroxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenyl]-N,N-dimethyl-acrylamide
CID 44325464
4-[(4-fluorophenyl)methyl-(4-hydroxybenzoyl)amino]-N,N-dimethylbenzamide
CID 155510663
1-[1-(4-Hydroxy-benzoyl)-piperidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 14969526
4-hydroxy-N-[4-(4-hydroxyphenyl)phenyl]-3-[2-(1-methylpiperidin-2-yl)ethyl]benzamide
CID 44212212
[(2R,4S)-6-Fluoro-4-(4-fluoro-phenylamino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxy-phenyl)-methanone
CID 44301153

Frequently Asked Questions

What is the IUPAC name of [(6S)-3-fluoro-6-methyl-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [(6S)-3-fluoro-6-methyl-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone (CID 11674380) is [(6S)-3-fluoro-6-methyl-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [(6S)-3-fluoro-6-methyl-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [(6S)-3-fluoro-6-methyl-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone is C[C@H]1c2ccccc2-c2ccc(F)cc2N1C(=O)c1ccc(O)cc1.
What is the InChIKey of [(6S)-3-fluoro-6-methyl-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is ZBYHMYARAVSEFD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H16FNO2/c1-13-17-4-2-3-5-18(17)19-11-8-15(22)12-20(19)23(13)21(25)14-6-9-16(24)10-7-14/h2-13,24H,1H3/t13-/m0/s1.
What are the key properties of [(6S)-3-fluoro-6-methyl-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone?
[(6S)-3-fluoro-6-methyl-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 333.36 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-3-fluoro-6-methyl-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 11674380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).