(4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride

C23H27ClN2O2S — CID 18968777

IUPAC(4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride
SMILESCOc1ccc(C(=O)c2c(C)n(CC3CSCCN3C)c3ccccc23)cc1.Cl
InChIInChI=1S/C23H26N2O2S.ClH/c1-16-22(23(26)17-8-10-19(27-3)11-9-17)20-6-4-5-7-21(20)25(16)14-18-15-28-13-12-24(18)2;/h4-11,18H,12-15H2,1-3H3;1H
InChIKeyNDIOPDQYTWUNMZ-UHFFFAOYSA-N
MW431.00 g/mol
LogP4.66
Rot. Bonds5

About (4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride

(4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride (PubChem CID 18968777) has the molecular formula C23H27ClN2O2S and a molecular weight of 431.00 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride
PubChem CID18968777
Molecular FormulaC23H27ClN2O2S
Molecular Weight431.00 g/mol
Exact Mass430.15
IUPAC Name(4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride
SMILESCOc1ccc(C(=O)c2c(C)n(CC3CSCCN3C)c3ccccc23)cc1.Cl
InChIInChI=1S/C23H26N2O2S.ClH/c1-16-22(23(26)17-8-10-19(27-3)11-9-17)20-6-4-5-7-21(20)25(16)14-18-15-28-13-12-24(18)2;/h4-11,18H,12-15H2,1-3H3;1H
InChIKeyNDIOPDQYTWUNMZ-UHFFFAOYSA-N
XLogP4.66
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.00
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride?
The IUPAC name of (4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride (CID 18968777) is (4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride.
What is the SMILES notation for (4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride?
The canonical SMILES for (4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride is COc1ccc(C(=O)c2c(C)n(CC3CSCCN3C)c3ccccc23)cc1.Cl.
What is the InChIKey of (4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride?
The InChIKey is NDIOPDQYTWUNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S.ClH/c1-16-22(23(26)17-8-10-19(27-3)11-9-17)20-6-4-5-7-21(20)25(16)14-18-15-28-13-12-24(18)2;/h4-11,18H,12-15H2,1-3H3;1H.
What are the key properties of (4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride?
(4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride has a molecular weight of 431.00 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride is sourced from PubChem (CID 18968777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).