4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine

C30H28F3N3O2 — CID 126517928

IUPAC4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
SMILESCC1CN(c2ccc(-c3cnc4c(-c5ccc(OC(F)(F)F)cc5)cccc4c3C3CC3)cn2)CC(C)O1
InChIInChI=1S/C30H28F3N3O2/c1-18-16-36(17-19(2)37-18)27-13-10-22(14-34-27)26-15-35-29-24(4-3-5-25(29)28(26)21-6-7-21)20-8-11-23(12-9-20)38-30(31,32)33/h3-5,8-15,18-19,21H,6-7,16-17H2,1-2H3
InChIKeyQQUGIEHSYUJXQF-UHFFFAOYSA-N
MW519.57 g/mol
LogP7.35
Rot. Bonds5

About 4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine

4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine (PubChem CID 126517928) has the molecular formula C30H28F3N3O2 and a molecular weight of 519.57 g/mol. Its IUPAC name is 4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
PubChem CID126517928
Molecular FormulaC30H28F3N3O2
Molecular Weight519.57 g/mol
Exact Mass519.21
IUPAC Name4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
SMILESCC1CN(c2ccc(-c3cnc4c(-c5ccc(OC(F)(F)F)cc5)cccc4c3C3CC3)cn2)CC(C)O1
InChIInChI=1S/C30H28F3N3O2/c1-18-16-36(17-19(2)37-18)27-13-10-22(14-34-27)26-15-35-29-24(4-3-5-25(29)28(26)21-6-7-21)20-8-11-23(12-9-20)38-30(31,32)33/h3-5,8-15,18-19,21H,6-7,16-17H2,1-2H3
InChIKeyQQUGIEHSYUJXQF-UHFFFAOYSA-N
XLogP7.35
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.57
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine (CID 126517928) is 4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine is CC1CN(c2ccc(-c3cnc4c(-c5ccc(OC(F)(F)F)cc5)cccc4c3C3CC3)cn2)CC(C)O1.
What is the InChIKey of 4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine?
The InChIKey is QQUGIEHSYUJXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N3O2/c1-18-16-36(17-19(2)37-18)27-13-10-22(14-34-27)26-15-35-29-24(4-3-5-25(29)28(26)21-6-7-21)20-8-11-23(12-9-20)38-30(31,32)33/h3-5,8-15,18-19,21H,6-7,16-17H2,1-2H3.
What are the key properties of 4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine?
4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine has a molecular weight of 519.57 g/mol, XLogP of 7.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 126517928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).