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

C26H30ClN3O2 — CID 50940458

IUPAC4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCOc1cc2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2cc1Cl
InChIInChI=1S/C26H30ClN3O2/c1-16-17(2)28-22-14-24(31-5)21(27)13-19(22)25(16)30-15-26(3,4)20-7-6-18(12-23(20)30)29-8-10-32-11-9-29/h6-7,12-14H,8-11,15H2,1-5H3
InChIKeyNTFVLOAYAWTENZ-UHFFFAOYSA-N
MW452.00 g/mol
LogP5.78
Rot. Bonds3

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

4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine (PubChem CID 50940458) has the molecular formula C26H30ClN3O2 and a molecular weight of 452.00 g/mol. Its IUPAC name is 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
PubChem CID50940458
Molecular FormulaC26H30ClN3O2
Molecular Weight452.00 g/mol
Exact Mass451.20
IUPAC Name4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCOc1cc2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2cc1Cl
InChIInChI=1S/C26H30ClN3O2/c1-16-17(2)28-22-14-24(31-5)21(27)13-19(22)25(16)30-15-26(3,4)20-7-6-18(12-23(20)30)29-8-10-32-11-9-29/h6-7,12-14H,8-11,15H2,1-5H3
InChIKeyNTFVLOAYAWTENZ-UHFFFAOYSA-N
XLogP5.78
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.00
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
The IUPAC name of 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine (CID 50940458) is 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine.
What is the SMILES notation for 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
The canonical SMILES for 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine is COc1cc2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2cc1Cl.
What is the InChIKey of 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
The InChIKey is NTFVLOAYAWTENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O2/c1-16-17(2)28-22-14-24(31-5)21(27)13-19(22)25(16)30-15-26(3,4)20-7-6-18(12-23(20)30)29-8-10-32-11-9-29/h6-7,12-14H,8-11,15H2,1-5H3.
What are the key properties of 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine has a molecular weight of 452.00 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine is sourced from PubChem (CID 50940458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).