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

C25H28ClN3O — CID 50940334

IUPAC4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1nc2ccc(Cl)cc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C
InChIInChI=1S/C25H28ClN3O/c1-16-17(2)27-22-8-5-18(26)13-20(22)24(16)29-15-25(3,4)21-7-6-19(14-23(21)29)28-9-11-30-12-10-28/h5-8,13-14H,9-12,15H2,1-4H3
InChIKeyZZMRFZSHBPPAOP-UHFFFAOYSA-N
MW421.97 g/mol
LogP5.77
Rot. Bonds2

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

4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine (PubChem CID 50940334) has the molecular formula C25H28ClN3O and a molecular weight of 421.97 g/mol. Its IUPAC name is 4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
PubChem CID50940334
Molecular FormulaC25H28ClN3O
Molecular Weight421.97 g/mol
Exact Mass421.19
IUPAC Name4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1nc2ccc(Cl)cc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C
InChIInChI=1S/C25H28ClN3O/c1-16-17(2)27-22-8-5-18(26)13-20(22)24(16)29-15-25(3,4)21-7-6-19(14-23(21)29)28-9-11-30-12-10-28/h5-8,13-14H,9-12,15H2,1-4H3
InChIKeyZZMRFZSHBPPAOP-UHFFFAOYSA-N
XLogP5.77
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 55.77
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-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
The IUPAC name of 4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine (CID 50940334) is 4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine.
What is the SMILES notation for 4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
The canonical SMILES for 4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine is Cc1nc2ccc(Cl)cc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C.
What is the InChIKey of 4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
The InChIKey is ZZMRFZSHBPPAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O/c1-16-17(2)27-22-8-5-18(26)13-20(22)24(16)29-15-25(3,4)21-7-6-19(14-23(21)29)28-9-11-30-12-10-28/h5-8,13-14H,9-12,15H2,1-4H3.
What are the key properties of 4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine has a molecular weight of 421.97 g/mol, XLogP of 5.77, 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-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine is sourced from PubChem (CID 50940334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).