(2S,6R)-4-[4-[6-fluoro-8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine

C28H26F2N2O2 — CID 129258392

IUPAC(2S,6R)-4-[4-[6-fluoro-8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine
SMILESCOc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cnc2c(-c3ccc(F)cc3)cc(F)cc12
InChIInChI=1S/C28H26F2N2O2/c1-17-15-32(16-18(2)34-17)23-10-6-20(7-11-23)26-14-31-27-24(19-4-8-21(29)9-5-19)12-22(30)13-25(27)28(26)33-3/h4-14,17-18H,15-16H2,1-3H3/t17-,18+
InChIKeyXPHHUSWRKXHYBC-HDICACEKSA-N
MW460.52 g/mol
LogP6.47
Rot. Bonds4

About (2S,6R)-4-[4-[6-fluoro-8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine

(2S,6R)-4-[4-[6-fluoro-8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine (PubChem CID 129258392) has the molecular formula C28H26F2N2O2 and a molecular weight of 460.52 g/mol. Its IUPAC name is (2S,6R)-4-[4-[6-fluoro-8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[4-[6-fluoro-8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine
PubChem CID129258392
Molecular FormulaC28H26F2N2O2
Molecular Weight460.52 g/mol
Exact Mass460.20
IUPAC Name(2S,6R)-4-[4-[6-fluoro-8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine
SMILESCOc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cnc2c(-c3ccc(F)cc3)cc(F)cc12
InChIInChI=1S/C28H26F2N2O2/c1-17-15-32(16-18(2)34-17)23-10-6-20(7-11-23)26-14-31-27-24(19-4-8-21(29)9-5-19)12-22(30)13-25(27)28(26)33-3/h4-14,17-18H,15-16H2,1-3H3/t17-,18+
InChIKeyXPHHUSWRKXHYBC-HDICACEKSA-N
XLogP6.47
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.52
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[4-[6-fluoro-8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[4-[6-fluoro-8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine (CID 129258392) is (2S,6R)-4-[4-[6-fluoro-8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[4-[6-fluoro-8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[4-[6-fluoro-8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine is COc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cnc2c(-c3ccc(F)cc3)cc(F)cc12.
What is the InChIKey of (2S,6R)-4-[4-[6-fluoro-8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine?
The InChIKey is XPHHUSWRKXHYBC-HDICACEKSA-N. The full InChI is InChI=1S/C28H26F2N2O2/c1-17-15-32(16-18(2)34-17)23-10-6-20(7-11-23)26-14-31-27-24(19-4-8-21(29)9-5-19)12-22(30)13-25(27)28(26)33-3/h4-14,17-18H,15-16H2,1-3H3/t17-,18+.
What are the key properties of (2S,6R)-4-[4-[6-fluoro-8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[4-[6-fluoro-8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine has a molecular weight of 460.52 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[4-[6-fluoro-8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 129258392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).