6-methyl-3-(morpholin-4-ylmethyl)-2-phenyl-1H-quinolin-4-one

C21H22N2O2 — CID 730820

IUPAC6-methyl-3-(morpholin-4-ylmethyl)-2-phenyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(-c3ccccc3)c(CN3CCOCC3)c(=O)c2c1
InChIInChI=1S/C21H22N2O2/c1-15-7-8-19-17(13-15)21(24)18(14-23-9-11-25-12-10-23)20(22-19)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,22,24)
InChIKeyDSBOLLUEOCNIHD-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.34
Rot. Bonds3

About 6-methyl-3-(morpholin-4-ylmethyl)-2-phenyl-1H-quinolin-4-one

6-methyl-3-(morpholin-4-ylmethyl)-2-phenyl-1H-quinolin-4-one (PubChem CID 730820) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-methyl-3-(morpholin-4-ylmethyl)-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methyl-3-(morpholin-4-ylmethyl)-2-phenyl-1H-quinolin-4-one
PubChem CID730820
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name6-methyl-3-(morpholin-4-ylmethyl)-2-phenyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(-c3ccccc3)c(CN3CCOCC3)c(=O)c2c1
InChIInChI=1S/C21H22N2O2/c1-15-7-8-19-17(13-15)21(24)18(14-23-9-11-25-12-10-23)20(22-19)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,22,24)
InChIKeyDSBOLLUEOCNIHD-UHFFFAOYSA-N
XLogP3.34
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(morpholin-4-ylmethyl)-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 6-methyl-3-(morpholin-4-ylmethyl)-2-phenyl-1H-quinolin-4-one (CID 730820) is 6-methyl-3-(morpholin-4-ylmethyl)-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 6-methyl-3-(morpholin-4-ylmethyl)-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 6-methyl-3-(morpholin-4-ylmethyl)-2-phenyl-1H-quinolin-4-one is Cc1ccc2[nH]c(-c3ccccc3)c(CN3CCOCC3)c(=O)c2c1.
What is the InChIKey of 6-methyl-3-(morpholin-4-ylmethyl)-2-phenyl-1H-quinolin-4-one?
The InChIKey is DSBOLLUEOCNIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-7-8-19-17(13-15)21(24)18(14-23-9-11-25-12-10-23)20(22-19)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,22,24).
What are the key properties of 6-methyl-3-(morpholin-4-ylmethyl)-2-phenyl-1H-quinolin-4-one?
6-methyl-3-(morpholin-4-ylmethyl)-2-phenyl-1H-quinolin-4-one has a molecular weight of 334.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(morpholin-4-ylmethyl)-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 730820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).