(4-methoxyphenyl)-[2-methyl-1-(1-morpholin-4-ylpropan-2-yl)indol-3-yl]methanone

C24H28N2O3 — CID 10000603

IUPAC(4-methoxyphenyl)-[2-methyl-1-(1-morpholin-4-ylpropan-2-yl)indol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c(C)n(C(C)CN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C24H28N2O3/c1-17(16-25-12-14-29-15-13-25)26-18(2)23(21-6-4-5-7-22(21)26)24(27)19-8-10-20(28-3)11-9-19/h4-11,17H,12-16H2,1-3H3
InChIKeyYKMQWFRCMFOWQD-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.08
Rot. Bonds6

About (4-methoxyphenyl)-[2-methyl-1-(1-morpholin-4-ylpropan-2-yl)indol-3-yl]methanone

(4-methoxyphenyl)-[2-methyl-1-(1-morpholin-4-ylpropan-2-yl)indol-3-yl]methanone (PubChem CID 10000603) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-methyl-1-(1-morpholin-4-ylpropan-2-yl)indol-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-methyl-1-(1-morpholin-4-ylpropan-2-yl)indol-3-yl]methanone
PubChem CID10000603
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name(4-methoxyphenyl)-[2-methyl-1-(1-morpholin-4-ylpropan-2-yl)indol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c(C)n(C(C)CN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C24H28N2O3/c1-17(16-25-12-14-29-15-13-25)26-18(2)23(21-6-4-5-7-22(21)26)24(27)19-8-10-20(28-3)11-9-19/h4-11,17H,12-16H2,1-3H3
InChIKeyYKMQWFRCMFOWQD-UHFFFAOYSA-N
XLogP4.08
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.08
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-(1-morpholin-4-ylpropan-2-yl)indol-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[2-methyl-1-(1-morpholin-4-ylpropan-2-yl)indol-3-yl]methanone (CID 10000603) is (4-methoxyphenyl)-[2-methyl-1-(1-morpholin-4-ylpropan-2-yl)indol-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[2-methyl-1-(1-morpholin-4-ylpropan-2-yl)indol-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[2-methyl-1-(1-morpholin-4-ylpropan-2-yl)indol-3-yl]methanone is COc1ccc(C(=O)c2c(C)n(C(C)CN3CCOCC3)c3ccccc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-methyl-1-(1-morpholin-4-ylpropan-2-yl)indol-3-yl]methanone?
The InChIKey is YKMQWFRCMFOWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-17(16-25-12-14-29-15-13-25)26-18(2)23(21-6-4-5-7-22(21)26)24(27)19-8-10-20(28-3)11-9-19/h4-11,17H,12-16H2,1-3H3.
What are the key properties of (4-methoxyphenyl)-[2-methyl-1-(1-morpholin-4-ylpropan-2-yl)indol-3-yl]methanone?
(4-methoxyphenyl)-[2-methyl-1-(1-morpholin-4-ylpropan-2-yl)indol-3-yl]methanone has a molecular weight of 392.50 g/mol, XLogP of 4.08, 6 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-(1-morpholin-4-ylpropan-2-yl)indol-3-yl]methanone is sourced from PubChem (CID 10000603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).