(2R,6S)-4-[5-[8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine

C27H26FN3O2 — CID 129258393

IUPAC(2R,6S)-4-[5-[8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
SMILESCOc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cnc2c(-c3ccc(F)cc3)cccc12
InChIInChI=1S/C27H26FN3O2/c1-17-15-31(16-18(2)33-17)25-12-9-20(13-29-25)24-14-30-26-22(19-7-10-21(28)11-8-19)5-4-6-23(26)27(24)32-3/h4-14,17-18H,15-16H2,1-3H3/t17-,18+
InChIKeyVFRHCIWVPUPSGJ-HDICACEKSA-N
MW443.52 g/mol
LogP5.73
Rot. Bonds4

About (2R,6S)-4-[5-[8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine

(2R,6S)-4-[5-[8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine (PubChem CID 129258393) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is (2R,6S)-4-[5-[8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[5-[8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
PubChem CID129258393
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name(2R,6S)-4-[5-[8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
SMILESCOc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cnc2c(-c3ccc(F)cc3)cccc12
InChIInChI=1S/C27H26FN3O2/c1-17-15-31(16-18(2)33-17)25-12-9-20(13-29-25)24-14-30-26-22(19-7-10-21(28)11-8-19)5-4-6-23(26)27(24)32-3/h4-14,17-18H,15-16H2,1-3H3/t17-,18+
InChIKeyVFRHCIWVPUPSGJ-HDICACEKSA-N
XLogP5.73
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[5-[8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[5-[8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine (CID 129258393) is (2R,6S)-4-[5-[8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[5-[8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[5-[8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine is COc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cnc2c(-c3ccc(F)cc3)cccc12.
What is the InChIKey of (2R,6S)-4-[5-[8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine?
The InChIKey is VFRHCIWVPUPSGJ-HDICACEKSA-N. The full InChI is InChI=1S/C27H26FN3O2/c1-17-15-31(16-18(2)33-17)25-12-9-20(13-29-25)24-14-30-26-22(19-7-10-21(28)11-8-19)5-4-6-23(26)27(24)32-3/h4-14,17-18H,15-16H2,1-3H3/t17-,18+.
What are the key properties of (2R,6S)-4-[5-[8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine?
(2R,6S)-4-[5-[8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine has a molecular weight of 443.52 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[5-[8-(4-fluorophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 129258393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).