6-methyl-3-(morpholin-4-ylmethyl)-2-phenylchromen-4-one;hydrochloride

C21H22ClNO3 — CID 16813410

IUPAC6-methyl-3-(morpholin-4-ylmethyl)-2-phenylchromen-4-one;hydrochloride
SMILESCc1ccc2oc(-c3ccccc3)c(CN3CCOCC3)c(=O)c2c1.Cl
InChIInChI=1S/C21H21NO3.ClH/c1-15-7-8-19-17(13-15)20(23)18(14-22-9-11-24-12-10-22)21(25-19)16-5-3-2-4-6-16;/h2-8,13H,9-12,14H2,1H3;1H
InChIKeyXEJMCLFWHVXIQX-UHFFFAOYSA-N
MW371.86 g/mol
LogP4.02
Rot. Bonds3

About 6-methyl-3-(morpholin-4-ylmethyl)-2-phenylchromen-4-one;hydrochloride

6-methyl-3-(morpholin-4-ylmethyl)-2-phenylchromen-4-one;hydrochloride (PubChem CID 16813410) has the molecular formula C21H22ClNO3 and a molecular weight of 371.86 g/mol. Its IUPAC name is 6-methyl-3-(morpholin-4-ylmethyl)-2-phenylchromen-4-one;hydrochloride.

Molecular Properties

Compound Name6-methyl-3-(morpholin-4-ylmethyl)-2-phenylchromen-4-one;hydrochloride
PubChem CID16813410
Molecular FormulaC21H22ClNO3
Molecular Weight371.86 g/mol
Exact Mass371.13
IUPAC Name6-methyl-3-(morpholin-4-ylmethyl)-2-phenylchromen-4-one;hydrochloride
SMILESCc1ccc2oc(-c3ccccc3)c(CN3CCOCC3)c(=O)c2c1.Cl
InChIInChI=1S/C21H21NO3.ClH/c1-15-7-8-19-17(13-15)20(23)18(14-22-9-11-24-12-10-22)21(25-19)16-5-3-2-4-6-16;/h2-8,13H,9-12,14H2,1H3;1H
InChIKeyXEJMCLFWHVXIQX-UHFFFAOYSA-N
XLogP4.02
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(morpholin-4-ylmethyl)-2-phenylchromen-4-one;hydrochloride?
The IUPAC name of 6-methyl-3-(morpholin-4-ylmethyl)-2-phenylchromen-4-one;hydrochloride (CID 16813410) is 6-methyl-3-(morpholin-4-ylmethyl)-2-phenylchromen-4-one;hydrochloride.
What is the SMILES notation for 6-methyl-3-(morpholin-4-ylmethyl)-2-phenylchromen-4-one;hydrochloride?
The canonical SMILES for 6-methyl-3-(morpholin-4-ylmethyl)-2-phenylchromen-4-one;hydrochloride is Cc1ccc2oc(-c3ccccc3)c(CN3CCOCC3)c(=O)c2c1.Cl.
What is the InChIKey of 6-methyl-3-(morpholin-4-ylmethyl)-2-phenylchromen-4-one;hydrochloride?
The InChIKey is XEJMCLFWHVXIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3.ClH/c1-15-7-8-19-17(13-15)20(23)18(14-22-9-11-24-12-10-22)21(25-19)16-5-3-2-4-6-16;/h2-8,13H,9-12,14H2,1H3;1H.
What are the key properties of 6-methyl-3-(morpholin-4-ylmethyl)-2-phenylchromen-4-one;hydrochloride?
6-methyl-3-(morpholin-4-ylmethyl)-2-phenylchromen-4-one;hydrochloride has a molecular weight of 371.86 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(morpholin-4-ylmethyl)-2-phenylchromen-4-one;hydrochloride is sourced from PubChem (CID 16813410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).