(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone;hydrochloride

C23H25Cl3N2O3 — CID 24849093

IUPAC(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone;hydrochloride
SMILESCOc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C23H24Cl2N2O3.ClH/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25;/h3-7,14H,8-13H2,1-2H3;1H
InChIKeyJIQYDHDVNNFPMU-UHFFFAOYSA-N
MW483.82 g/mol
LogP5.25
Rot. Bonds5

About (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone;hydrochloride

(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone;hydrochloride (PubChem CID 24849093) has the molecular formula C23H25Cl3N2O3 and a molecular weight of 483.82 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone;hydrochloride
PubChem CID24849093
Molecular FormulaC23H25Cl3N2O3
Molecular Weight483.82 g/mol
Exact Mass482.09
IUPAC Name(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone;hydrochloride
SMILESCOc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C23H24Cl2N2O3.ClH/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25;/h3-7,14H,8-13H2,1-2H3;1H
InChIKeyJIQYDHDVNNFPMU-UHFFFAOYSA-N
XLogP5.25
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.82
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(1-morpholin-4-ylethyl)indol-1-yl]methanone
CID 140574520
(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]methanone
CID 164626348
N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(3-morpholin-4-ylpropanoyl)indol-3-yl]acetamide
CID 70697444
2-[5-methoxy-1-(3-methoxybenzoyl)-2-methylindol-3-yl]-N-(2-morpholin-4-ylethyl)-N-(1,3-thiazol-2-yl)acetamide
CID 58618075
[3-[2-[4-(2-cyclohexylethyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 21313371
[3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone
CID 21313326
2-piperidin-1-ylethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 12658359
2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;hydrochloride
CID 46928284
4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
CID 19438809
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 4545654
[3-[2-[2-(3-cyclohexylpropyl)piperidin-1-yl]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone
CID 21313321

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone;hydrochloride?
The IUPAC name of (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone;hydrochloride (CID 24849093) is (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone;hydrochloride?
The canonical SMILES for (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone;hydrochloride is COc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1Cl.Cl.
What is the InChIKey of (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone;hydrochloride?
The InChIKey is JIQYDHDVNNFPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O3.ClH/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25;/h3-7,14H,8-13H2,1-2H3;1H.
What are the key properties of (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone;hydrochloride?
(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone;hydrochloride has a molecular weight of 483.82 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone;hydrochloride is sourced from PubChem (CID 24849093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).