(3-methyl-1H-inden-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone

C22H24N2O3 — CID 3344780

IUPAC(3-methyl-1H-inden-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
SMILESCC1=C(C(=O)N2CCOC(COc3ccc(C)nc3)C2)Cc2ccccc21
InChIInChI=1S/C22H24N2O3/c1-15-7-8-18(12-23-15)27-14-19-13-24(9-10-26-19)22(25)21-11-17-5-3-4-6-20(17)16(21)2/h3-8,12,19H,9-11,13-14H2,1-2H3
InChIKeyJAPOIJBRCPMCDB-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.03
Rot. Bonds4

About (3-methyl-1H-inden-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone

(3-methyl-1H-inden-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone (PubChem CID 3344780) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (3-methyl-1H-inden-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1H-inden-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
PubChem CID3344780
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(3-methyl-1H-inden-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
SMILESCC1=C(C(=O)N2CCOC(COc3ccc(C)nc3)C2)Cc2ccccc21
InChIInChI=1S/C22H24N2O3/c1-15-7-8-18(12-23-15)27-14-19-13-24(9-10-26-19)22(25)21-11-17-5-3-4-6-20(17)16(21)2/h3-8,12,19H,9-11,13-14H2,1-2H3
InChIKeyJAPOIJBRCPMCDB-UHFFFAOYSA-N
XLogP3.03
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1H-inden-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone?
The IUPAC name of (3-methyl-1H-inden-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone (CID 3344780) is (3-methyl-1H-inden-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone.
What is the SMILES notation for (3-methyl-1H-inden-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone?
The canonical SMILES for (3-methyl-1H-inden-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone is CC1=C(C(=O)N2CCOC(COc3ccc(C)nc3)C2)Cc2ccccc21.
What is the InChIKey of (3-methyl-1H-inden-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone?
The InChIKey is JAPOIJBRCPMCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-7-8-18(12-23-15)27-14-19-13-24(9-10-26-19)22(25)21-11-17-5-3-4-6-20(17)16(21)2/h3-8,12,19H,9-11,13-14H2,1-2H3.
What are the key properties of (3-methyl-1H-inden-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone?
(3-methyl-1H-inden-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1H-inden-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone is sourced from PubChem (CID 3344780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).