4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-4-methoxyindol-6-yl]morpholine

C24H24ClN3O2 — CID 50939472

IUPAC4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-4-methoxyindol-6-yl]morpholine
SMILESCOc1cc(N2CCOCC2)cc2c1ccn2-c1c(C)c(C)nc2ccc(Cl)cc12
InChIInChI=1S/C24H24ClN3O2/c1-15-16(2)26-21-5-4-17(25)12-20(21)24(15)28-7-6-19-22(28)13-18(14-23(19)29-3)27-8-10-30-11-9-27/h4-7,12-14H,8-11H2,1-3H3
InChIKeyKRWFNNPGKCSRQU-UHFFFAOYSA-N
MW421.93 g/mol
LogP5.29
Rot. Bonds3

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

4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-4-methoxyindol-6-yl]morpholine (PubChem CID 50939472) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-4-methoxyindol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-4-methoxyindol-6-yl]morpholine
PubChem CID50939472
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-4-methoxyindol-6-yl]morpholine
SMILESCOc1cc(N2CCOCC2)cc2c1ccn2-c1c(C)c(C)nc2ccc(Cl)cc12
InChIInChI=1S/C24H24ClN3O2/c1-15-16(2)26-21-5-4-17(25)12-20(21)24(15)28-7-6-19-22(28)13-18(14-23(19)29-3)27-8-10-30-11-9-27/h4-7,12-14H,8-11H2,1-3H3
InChIKeyKRWFNNPGKCSRQU-UHFFFAOYSA-N
XLogP5.29
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.93
LogP ≤ 55.29
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-2,3-dimethylquinolin-4-yl)-4-methoxyindol-6-yl]morpholine?
The IUPAC name of 4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-4-methoxyindol-6-yl]morpholine (CID 50939472) is 4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-4-methoxyindol-6-yl]morpholine.
What is the SMILES notation for 4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-4-methoxyindol-6-yl]morpholine?
The canonical SMILES for 4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-4-methoxyindol-6-yl]morpholine is COc1cc(N2CCOCC2)cc2c1ccn2-c1c(C)c(C)nc2ccc(Cl)cc12.
What is the InChIKey of 4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-4-methoxyindol-6-yl]morpholine?
The InChIKey is KRWFNNPGKCSRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c1-15-16(2)26-21-5-4-17(25)12-20(21)24(15)28-7-6-19-22(28)13-18(14-23(19)29-3)27-8-10-30-11-9-27/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-4-methoxyindol-6-yl]morpholine?
4-[1-(6-chloro-2,3-dimethylquinolin-4-yl)-4-methoxyindol-6-yl]morpholine has a molecular weight of 421.93 g/mol, XLogP of 5.29, 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-2,3-dimethylquinolin-4-yl)-4-methoxyindol-6-yl]morpholine is sourced from PubChem (CID 50939472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).