1-[(5S,8S)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]-3-(2-fluoro-6-methylphenyl)propan-1-one

C19H19F2NO2 — CID 159682534

IUPAC1-[(5S,8S)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]-3-(2-fluoro-6-methylphenyl)propan-1-one
SMILESCc1cccc(F)c1CCC(=O)[C@]1(F)CC[C@H](O)c2ncccc21
InChIInChI=1S/C19H19F2NO2/c1-12-4-2-6-15(20)13(12)7-8-17(24)19(21)10-9-16(23)18-14(19)5-3-11-22-18/h2-6,11,16,23H,7-10H2,1H3/t16-,19-/m0/s1
InChIKeyMVJPLYNHLDVCSV-LPHOPBHVSA-N
MW331.36 g/mol
LogP3.72
Rot. Bonds4

About 1-[(5S,8S)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]-3-(2-fluoro-6-methylphenyl)propan-1-one

1-[(5S,8S)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]-3-(2-fluoro-6-methylphenyl)propan-1-one (PubChem CID 159682534) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is 1-[(5S,8S)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]-3-(2-fluoro-6-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(5S,8S)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]-3-(2-fluoro-6-methylphenyl)propan-1-one
PubChem CID159682534
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name1-[(5S,8S)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]-3-(2-fluoro-6-methylphenyl)propan-1-one
SMILESCc1cccc(F)c1CCC(=O)[C@]1(F)CC[C@H](O)c2ncccc21
InChIInChI=1S/C19H19F2NO2/c1-12-4-2-6-15(20)13(12)7-8-17(24)19(21)10-9-16(23)18-14(19)5-3-11-22-18/h2-6,11,16,23H,7-10H2,1H3/t16-,19-/m0/s1
InChIKeyMVJPLYNHLDVCSV-LPHOPBHVSA-N
XLogP3.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S,8S)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]-3-(2-fluoro-6-methylphenyl)propan-1-one?
The IUPAC name of 1-[(5S,8S)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]-3-(2-fluoro-6-methylphenyl)propan-1-one (CID 159682534) is 1-[(5S,8S)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]-3-(2-fluoro-6-methylphenyl)propan-1-one.
What is the SMILES notation for 1-[(5S,8S)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]-3-(2-fluoro-6-methylphenyl)propan-1-one?
The canonical SMILES for 1-[(5S,8S)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]-3-(2-fluoro-6-methylphenyl)propan-1-one is Cc1cccc(F)c1CCC(=O)[C@]1(F)CC[C@H](O)c2ncccc21.
What is the InChIKey of 1-[(5S,8S)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]-3-(2-fluoro-6-methylphenyl)propan-1-one?
The InChIKey is MVJPLYNHLDVCSV-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H19F2NO2/c1-12-4-2-6-15(20)13(12)7-8-17(24)19(21)10-9-16(23)18-14(19)5-3-11-22-18/h2-6,11,16,23H,7-10H2,1H3/t16-,19-/m0/s1.
What are the key properties of 1-[(5S,8S)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]-3-(2-fluoro-6-methylphenyl)propan-1-one?
1-[(5S,8S)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]-3-(2-fluoro-6-methylphenyl)propan-1-one has a molecular weight of 331.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S,8S)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]-3-(2-fluoro-6-methylphenyl)propan-1-one is sourced from PubChem (CID 159682534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).