6-fluoro-7-methyl-1-[(2R)-2-methyl-3-(4-propoxypiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one

C22H33FN2O2 — CID 68910421

IUPAC6-fluoro-7-methyl-1-[(2R)-2-methyl-3-(4-propoxypiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one
SMILESCCCOC1CCN(C[C@@H](C)CN2C(=O)CCc3cc(F)c(C)cc32)CC1
InChIInChI=1S/C22H33FN2O2/c1-4-11-27-19-7-9-24(10-8-19)14-16(2)15-25-21-12-17(3)20(23)13-18(21)5-6-22(25)26/h12-13,16,19H,4-11,14-15H2,1-3H3/t16-/m1/s1
InChIKeyGEHMGDIMJROZAG-MRXNPFEDSA-N
MW376.52 g/mol
LogP3.94
Rot. Bonds7

About 6-fluoro-7-methyl-1-[(2R)-2-methyl-3-(4-propoxypiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one

6-fluoro-7-methyl-1-[(2R)-2-methyl-3-(4-propoxypiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one (PubChem CID 68910421) has the molecular formula C22H33FN2O2 and a molecular weight of 376.52 g/mol. Its IUPAC name is 6-fluoro-7-methyl-1-[(2R)-2-methyl-3-(4-propoxypiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-fluoro-7-methyl-1-[(2R)-2-methyl-3-(4-propoxypiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one
PubChem CID68910421
Molecular FormulaC22H33FN2O2
Molecular Weight376.52 g/mol
Exact Mass376.25
IUPAC Name6-fluoro-7-methyl-1-[(2R)-2-methyl-3-(4-propoxypiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one
SMILESCCCOC1CCN(C[C@@H](C)CN2C(=O)CCc3cc(F)c(C)cc32)CC1
InChIInChI=1S/C22H33FN2O2/c1-4-11-27-19-7-9-24(10-8-19)14-16(2)15-25-21-12-17(3)20(23)13-18(21)5-6-22(25)26/h12-13,16,19H,4-11,14-15H2,1-3H3/t16-/m1/s1
InChIKeyGEHMGDIMJROZAG-MRXNPFEDSA-N
XLogP3.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methyl-1-[(2R)-2-methyl-3-(4-propoxypiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-fluoro-7-methyl-1-[(2R)-2-methyl-3-(4-propoxypiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one (CID 68910421) is 6-fluoro-7-methyl-1-[(2R)-2-methyl-3-(4-propoxypiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-fluoro-7-methyl-1-[(2R)-2-methyl-3-(4-propoxypiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-fluoro-7-methyl-1-[(2R)-2-methyl-3-(4-propoxypiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one is CCCOC1CCN(C[C@@H](C)CN2C(=O)CCc3cc(F)c(C)cc32)CC1.
What is the InChIKey of 6-fluoro-7-methyl-1-[(2R)-2-methyl-3-(4-propoxypiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is GEHMGDIMJROZAG-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H33FN2O2/c1-4-11-27-19-7-9-24(10-8-19)14-16(2)15-25-21-12-17(3)20(23)13-18(21)5-6-22(25)26/h12-13,16,19H,4-11,14-15H2,1-3H3/t16-/m1/s1.
What are the key properties of 6-fluoro-7-methyl-1-[(2R)-2-methyl-3-(4-propoxypiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one?
6-fluoro-7-methyl-1-[(2R)-2-methyl-3-(4-propoxypiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 376.52 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methyl-1-[(2R)-2-methyl-3-(4-propoxypiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 68910421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).