3-(4-chloro-2-fluorophenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one

C18H16ClF2NO2 — CID 162075346

IUPAC3-(4-chloro-2-fluorophenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1F)[C@@]1(F)CC[C@@H](O)c2ncccc21
InChIInChI=1S/C18H16ClF2NO2/c19-12-5-3-11(14(20)10-12)4-6-16(24)18(21)8-7-15(23)17-13(18)2-1-9-22-17/h1-3,5,9-10,15,23H,4,6-8H2/t15-,18-/m1/s1
InChIKeyZBQAVVSQKZVQIL-CRAIPNDOSA-N
MW351.78 g/mol
LogP4.07
Rot. Bonds4

About 3-(4-chloro-2-fluorophenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one

3-(4-chloro-2-fluorophenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one (PubChem CID 162075346) has the molecular formula C18H16ClF2NO2 and a molecular weight of 351.78 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one
PubChem CID162075346
Molecular FormulaC18H16ClF2NO2
Molecular Weight351.78 g/mol
Exact Mass351.08
IUPAC Name3-(4-chloro-2-fluorophenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1F)[C@@]1(F)CC[C@@H](O)c2ncccc21
InChIInChI=1S/C18H16ClF2NO2/c19-12-5-3-11(14(20)10-12)4-6-16(24)18(21)8-7-15(23)17-13(18)2-1-9-22-17/h1-3,5,9-10,15,23H,4,6-8H2/t15-,18-/m1/s1
InChIKeyZBQAVVSQKZVQIL-CRAIPNDOSA-N
XLogP4.07
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.78
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-4,5-difluorophenyl)-1-[(5S,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one
CID 161192957
3-(2-chloro-4-methylphenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one
CID 159302986
(5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 142429405
3-(2-chloro-6-methylphenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one
CID 162235498
1-[(5S,8S)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]-3-(2-fluoro-6-methylphenyl)propan-1-one
CID 159682534
3-(2,4-dichlorophenyl)-1-[(5S,8S)-5-fluoro-8-prop-2-enoxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one
CID 160989894
3-(2-chloro-4-fluorophenyl)-1-[(5S,8S)-5-fluoro-8-methoxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one
CID 159218444
N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663783
(5S,8S)-N-[(2,4-difluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 135330653
N-[(4-chlorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663787
N-[(4-chloro-3-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663825
(5S,8S)-N-[(2-chloro-5-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 142429449

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one (CID 162075346) is 3-(4-chloro-2-fluorophenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one is O=C(CCc1ccc(Cl)cc1F)[C@@]1(F)CC[C@@H](O)c2ncccc21.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one?
The InChIKey is ZBQAVVSQKZVQIL-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H16ClF2NO2/c19-12-5-3-11(14(20)10-12)4-6-16(24)18(21)8-7-15(23)17-13(18)2-1-9-22-17/h1-3,5,9-10,15,23H,4,6-8H2/t15-,18-/m1/s1.
What are the key properties of 3-(4-chloro-2-fluorophenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one?
3-(4-chloro-2-fluorophenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one has a molecular weight of 351.78 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one is sourced from PubChem (CID 162075346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).