4-[1-(7-methoxy-2,3,6-trimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine

C27H33N3O2 — CID 50940457

IUPAC4-[1-(7-methoxy-2,3,6-trimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCOc1cc2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2cc1C
InChIInChI=1S/C27H33N3O2/c1-17-13-21-23(15-25(17)31-6)28-19(3)18(2)26(21)30-16-27(4,5)22-8-7-20(14-24(22)30)29-9-11-32-12-10-29/h7-8,13-15H,9-12,16H2,1-6H3
InChIKeyCQDLPXMFVSHVMO-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.43
Rot. Bonds3

About 4-[1-(7-methoxy-2,3,6-trimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine

4-[1-(7-methoxy-2,3,6-trimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine (PubChem CID 50940457) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 4-[1-(7-methoxy-2,3,6-trimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-(7-methoxy-2,3,6-trimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
PubChem CID50940457
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name4-[1-(7-methoxy-2,3,6-trimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCOc1cc2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2cc1C
InChIInChI=1S/C27H33N3O2/c1-17-13-21-23(15-25(17)31-6)28-19(3)18(2)26(21)30-16-27(4,5)22-8-7-20(14-24(22)30)29-9-11-32-12-10-29/h7-8,13-15H,9-12,16H2,1-6H3
InChIKeyCQDLPXMFVSHVMO-UHFFFAOYSA-N
XLogP5.43
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(7-methoxy-2,3,6-trimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
The IUPAC name of 4-[1-(7-methoxy-2,3,6-trimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine (CID 50940457) is 4-[1-(7-methoxy-2,3,6-trimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine.
What is the SMILES notation for 4-[1-(7-methoxy-2,3,6-trimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
The canonical SMILES for 4-[1-(7-methoxy-2,3,6-trimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine is COc1cc2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2cc1C.
What is the InChIKey of 4-[1-(7-methoxy-2,3,6-trimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
The InChIKey is CQDLPXMFVSHVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-17-13-21-23(15-25(17)31-6)28-19(3)18(2)26(21)30-16-27(4,5)22-8-7-20(14-24(22)30)29-9-11-32-12-10-29/h7-8,13-15H,9-12,16H2,1-6H3.
What are the key properties of 4-[1-(7-methoxy-2,3,6-trimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
4-[1-(7-methoxy-2,3,6-trimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine has a molecular weight of 431.58 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(7-methoxy-2,3,6-trimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine is sourced from PubChem (CID 50940457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).