4-[1-[6-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine

C25H25ClF3N3O — CID 50940224

IUPAC4-[1-[6-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1c(C(F)(F)F)nc2ccc(Cl)cc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C25H25ClF3N3O/c1-15-22(18-12-16(26)4-7-20(18)30-23(15)25(27,28)29)32-14-24(2,3)19-6-5-17(13-21(19)32)31-8-10-33-11-9-31/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyBJPWRRBRDMUWQN-UHFFFAOYSA-N
MW475.94 g/mol
LogP6.48
Rot. Bonds2

About 4-[1-[6-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine

4-[1-[6-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine (PubChem CID 50940224) has the molecular formula C25H25ClF3N3O and a molecular weight of 475.94 g/mol. Its IUPAC name is 4-[1-[6-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-[6-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
PubChem CID50940224
Molecular FormulaC25H25ClF3N3O
Molecular Weight475.94 g/mol
Exact Mass475.16
IUPAC Name4-[1-[6-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1c(C(F)(F)F)nc2ccc(Cl)cc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C25H25ClF3N3O/c1-15-22(18-12-16(26)4-7-20(18)30-23(15)25(27,28)29)32-14-24(2,3)19-6-5-17(13-21(19)32)31-8-10-33-11-9-31/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyBJPWRRBRDMUWQN-UHFFFAOYSA-N
XLogP6.48
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.94
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The IUPAC name of 4-[1-[6-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine (CID 50940224) is 4-[1-[6-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine.
What is the SMILES notation for 4-[1-[6-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The canonical SMILES for 4-[1-[6-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine is Cc1c(C(F)(F)F)nc2ccc(Cl)cc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21.
What is the InChIKey of 4-[1-[6-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The InChIKey is BJPWRRBRDMUWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF3N3O/c1-15-22(18-12-16(26)4-7-20(18)30-23(15)25(27,28)29)32-14-24(2,3)19-6-5-17(13-21(19)32)31-8-10-33-11-9-31/h4-7,12-13H,8-11,14H2,1-3H3.
What are the key properties of 4-[1-[6-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
4-[1-[6-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine has a molecular weight of 475.94 g/mol, XLogP of 6.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine is sourced from PubChem (CID 50940224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).