4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine

C32H28F7N3O — CID 50939345

IUPAC4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C32H28F7N3O/c1-18-28(19-12-20(31(34,35)36)14-21(13-19)32(37,38)39)40-26-15-22(33)4-6-24(26)29(18)42-17-30(2,3)25-7-5-23(16-27(25)42)41-8-10-43-11-9-41/h4-7,12-16H,8-11,17H2,1-3H3
InChIKeyBHMKBLCQWCTDIQ-UHFFFAOYSA-N
MW603.58 g/mol
LogP8.65
Rot. Bonds3

About 4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine

4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine (PubChem CID 50939345) has the molecular formula C32H28F7N3O and a molecular weight of 603.58 g/mol. Its IUPAC name is 4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
PubChem CID50939345
Molecular FormulaC32H28F7N3O
Molecular Weight603.58 g/mol
Exact Mass603.21
IUPAC Name4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C32H28F7N3O/c1-18-28(19-12-20(31(34,35)36)14-21(13-19)32(37,38)39)40-26-15-22(33)4-6-24(26)29(18)42-17-30(2,3)25-7-5-23(16-27(25)42)41-8-10-43-11-9-41/h4-7,12-16H,8-11,17H2,1-3H3
InChIKeyBHMKBLCQWCTDIQ-UHFFFAOYSA-N
XLogP8.65
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.58
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine 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-[1-[2-[3,5-bis(trifluoromethyl)phenyl]-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The IUPAC name of 4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine (CID 50939345) is 4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine.
What is the SMILES notation for 4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The canonical SMILES for 4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine is Cc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21.
What is the InChIKey of 4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The InChIKey is BHMKBLCQWCTDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F7N3O/c1-18-28(19-12-20(31(34,35)36)14-21(13-19)32(37,38)39)40-26-15-22(33)4-6-24(26)29(18)42-17-30(2,3)25-7-5-23(16-27(25)42)41-8-10-43-11-9-41/h4-7,12-16H,8-11,17H2,1-3H3.
What are the key properties of 4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine has a molecular weight of 603.58 g/mol, XLogP of 8.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine is sourced from PubChem (CID 50939345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).