8-(2-acetylphenyl)-2-morpholin-4-yl-1H-quinolin-4-one

C21H20N2O3 — CID 69199746

IUPAC8-(2-acetylphenyl)-2-morpholin-4-yl-1H-quinolin-4-one
SMILESCC(=O)c1ccccc1-c1cccc2c(=O)cc(N3CCOCC3)[nH]c12
InChIInChI=1S/C21H20N2O3/c1-14(24)15-5-2-3-6-16(15)17-7-4-8-18-19(25)13-20(22-21(17)18)23-9-11-26-12-10-23/h2-8,13H,9-12H2,1H3,(H,22,25)
InChIKeyHGJZXWARJAQLAE-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.23
Rot. Bonds3

About 8-(2-acetylphenyl)-2-morpholin-4-yl-1H-quinolin-4-one

8-(2-acetylphenyl)-2-morpholin-4-yl-1H-quinolin-4-one (PubChem CID 69199746) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 8-(2-acetylphenyl)-2-morpholin-4-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name8-(2-acetylphenyl)-2-morpholin-4-yl-1H-quinolin-4-one
PubChem CID69199746
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name8-(2-acetylphenyl)-2-morpholin-4-yl-1H-quinolin-4-one
SMILESCC(=O)c1ccccc1-c1cccc2c(=O)cc(N3CCOCC3)[nH]c12
InChIInChI=1S/C21H20N2O3/c1-14(24)15-5-2-3-6-16(15)17-7-4-8-18-19(25)13-20(22-21(17)18)23-9-11-26-12-10-23/h2-8,13H,9-12H2,1H3,(H,22,25)
InChIKeyHGJZXWARJAQLAE-UHFFFAOYSA-N
XLogP3.23
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-acetylphenyl)-2-morpholin-4-yl-1H-quinolin-4-one?
The IUPAC name of 8-(2-acetylphenyl)-2-morpholin-4-yl-1H-quinolin-4-one (CID 69199746) is 8-(2-acetylphenyl)-2-morpholin-4-yl-1H-quinolin-4-one.
What is the SMILES notation for 8-(2-acetylphenyl)-2-morpholin-4-yl-1H-quinolin-4-one?
The canonical SMILES for 8-(2-acetylphenyl)-2-morpholin-4-yl-1H-quinolin-4-one is CC(=O)c1ccccc1-c1cccc2c(=O)cc(N3CCOCC3)[nH]c12.
What is the InChIKey of 8-(2-acetylphenyl)-2-morpholin-4-yl-1H-quinolin-4-one?
The InChIKey is HGJZXWARJAQLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14(24)15-5-2-3-6-16(15)17-7-4-8-18-19(25)13-20(22-21(17)18)23-9-11-26-12-10-23/h2-8,13H,9-12H2,1H3,(H,22,25).
What are the key properties of 8-(2-acetylphenyl)-2-morpholin-4-yl-1H-quinolin-4-one?
8-(2-acetylphenyl)-2-morpholin-4-yl-1H-quinolin-4-one has a molecular weight of 348.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-acetylphenyl)-2-morpholin-4-yl-1H-quinolin-4-one is sourced from PubChem (CID 69199746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).