1-[(2R,4S)-7-fluoro-2-methyl-4-phenoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone

C18H18FNO2 — CID 66625179

IUPAC1-[(2R,4S)-7-fluoro-2-methyl-4-phenoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2cc(F)ccc2[C@@H](Oc2ccccc2)C[C@H]1C
InChIInChI=1S/C18H18FNO2/c1-12-10-18(22-15-6-4-3-5-7-15)16-9-8-14(19)11-17(16)20(12)13(2)21/h3-9,11-12,18H,10H2,1-2H3/t12-,18+/m1/s1
InChIKeyLBEBPSUJONUWPU-XIKOKIGWSA-N
MW299.34 g/mol
LogP4.09
Rot. Bonds2

About 1-[(2R,4S)-7-fluoro-2-methyl-4-phenoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2R,4S)-7-fluoro-2-methyl-4-phenoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 66625179) has the molecular formula C18H18FNO2 and a molecular weight of 299.34 g/mol. Its IUPAC name is 1-[(2R,4S)-7-fluoro-2-methyl-4-phenoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,4S)-7-fluoro-2-methyl-4-phenoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID66625179
Molecular FormulaC18H18FNO2
Molecular Weight299.34 g/mol
Exact Mass299.13
IUPAC Name1-[(2R,4S)-7-fluoro-2-methyl-4-phenoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2cc(F)ccc2[C@@H](Oc2ccccc2)C[C@H]1C
InChIInChI=1S/C18H18FNO2/c1-12-10-18(22-15-6-4-3-5-7-15)16-9-8-14(19)11-17(16)20(12)13(2)21/h3-9,11-12,18H,10H2,1-2H3/t12-,18+/m1/s1
InChIKeyLBEBPSUJONUWPU-XIKOKIGWSA-N
XLogP4.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-7-fluoro-2-methyl-4-phenoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2R,4S)-7-fluoro-2-methyl-4-phenoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 66625179) is 1-[(2R,4S)-7-fluoro-2-methyl-4-phenoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R,4S)-7-fluoro-2-methyl-4-phenoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2R,4S)-7-fluoro-2-methyl-4-phenoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2cc(F)ccc2[C@@H](Oc2ccccc2)C[C@H]1C.
What is the InChIKey of 1-[(2R,4S)-7-fluoro-2-methyl-4-phenoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is LBEBPSUJONUWPU-XIKOKIGWSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-12-10-18(22-15-6-4-3-5-7-15)16-9-8-14(19)11-17(16)20(12)13(2)21/h3-9,11-12,18H,10H2,1-2H3/t12-,18+/m1/s1.
What are the key properties of 1-[(2R,4S)-7-fluoro-2-methyl-4-phenoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2R,4S)-7-fluoro-2-methyl-4-phenoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 299.34 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-7-fluoro-2-methyl-4-phenoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 66625179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).