4-[1-(2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine

C25H29N3O — CID 50939992

IUPAC4-[1-(2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1nc2ccccc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C
InChIInChI=1S/C25H29N3O/c1-17-18(2)26-22-8-6-5-7-20(22)24(17)28-16-25(3,4)21-10-9-19(15-23(21)28)27-11-13-29-14-12-27/h5-10,15H,11-14,16H2,1-4H3
InChIKeyDUESCAIUUFXQAS-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.12
Rot. Bonds2

About 4-[1-(2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine

4-[1-(2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine (PubChem CID 50939992) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-[1-(2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
PubChem CID50939992
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name4-[1-(2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1nc2ccccc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C
InChIInChI=1S/C25H29N3O/c1-17-18(2)26-22-8-6-5-7-20(22)24(17)28-16-25(3,4)21-10-9-19(15-23(21)28)27-11-13-29-14-12-27/h5-10,15H,11-14,16H2,1-4H3
InChIKeyDUESCAIUUFXQAS-UHFFFAOYSA-N
XLogP5.12
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
The IUPAC name of 4-[1-(2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine (CID 50939992) is 4-[1-(2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine.
What is the SMILES notation for 4-[1-(2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
The canonical SMILES for 4-[1-(2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine is Cc1nc2ccccc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C.
What is the InChIKey of 4-[1-(2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
The InChIKey is DUESCAIUUFXQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-17-18(2)26-22-8-6-5-7-20(22)24(17)28-16-25(3,4)21-10-9-19(15-23(21)28)27-11-13-29-14-12-27/h5-10,15H,11-14,16H2,1-4H3.
What are the key properties of 4-[1-(2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
4-[1-(2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine has a molecular weight of 387.53 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine is sourced from PubChem (CID 50939992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).