(2R,6S)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine

C29H26F4N2O3 — CID 118407391

IUPAC(2R,6S)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
SMILESCOc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cnc2c(-c3ccc(OC(F)(F)F)cc3)cc(F)cc12
InChIInChI=1S/C29H26F4N2O3/c1-17-15-35(16-18(2)37-17)22-8-4-20(5-9-22)26-14-34-27-24(12-21(30)13-25(27)28(26)36-3)19-6-10-23(11-7-19)38-29(31,32)33/h4-14,17-18H,15-16H2,1-3H3/t17-,18+
InChIKeyRHPISTZOXHEDLE-HDICACEKSA-N
MW526.53 g/mol
LogP7.23
Rot. Bonds5

About (2R,6S)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine

(2R,6S)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine (PubChem CID 118407391) has the molecular formula C29H26F4N2O3 and a molecular weight of 526.53 g/mol. Its IUPAC name is (2R,6S)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
PubChem CID118407391
Molecular FormulaC29H26F4N2O3
Molecular Weight526.53 g/mol
Exact Mass526.19
IUPAC Name(2R,6S)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
SMILESCOc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cnc2c(-c3ccc(OC(F)(F)F)cc3)cc(F)cc12
InChIInChI=1S/C29H26F4N2O3/c1-17-15-35(16-18(2)37-17)22-8-4-20(5-9-22)26-14-34-27-24(12-21(30)13-25(27)28(26)36-3)19-6-10-23(11-7-19)38-29(31,32)33/h4-14,17-18H,15-16H2,1-3H3/t17-,18+
InChIKeyRHPISTZOXHEDLE-HDICACEKSA-N
XLogP7.23
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.53
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine (CID 118407391) is (2R,6S)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine is COc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cnc2c(-c3ccc(OC(F)(F)F)cc3)cc(F)cc12.
What is the InChIKey of (2R,6S)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine?
The InChIKey is RHPISTZOXHEDLE-HDICACEKSA-N. The full InChI is InChI=1S/C29H26F4N2O3/c1-17-15-35(16-18(2)37-17)22-8-4-20(5-9-22)26-14-34-27-24(12-21(30)13-25(27)28(26)36-3)19-6-10-23(11-7-19)38-29(31,32)33/h4-14,17-18H,15-16H2,1-3H3/t17-,18+.
What are the key properties of (2R,6S)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine?
(2R,6S)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine has a molecular weight of 526.53 g/mol, XLogP of 7.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 118407391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).