3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one

C22H22N2O3 — CID 56867974

IUPAC3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one
SMILESCc1cccc2c(=O)c(C(=O)N3CCOC(Cc4ccccc4)C3)c[nH]c12
InChIInChI=1S/C22H22N2O3/c1-15-6-5-9-18-20(15)23-13-19(21(18)25)22(26)24-10-11-27-17(14-24)12-16-7-3-2-4-8-16/h2-9,13,17H,10-12,14H2,1H3,(H,23,25)
InChIKeySTALDCQOXRXGKL-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.92
Rot. Bonds3

About 3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one

3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one (PubChem CID 56867974) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one
PubChem CID56867974
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one
SMILESCc1cccc2c(=O)c(C(=O)N3CCOC(Cc4ccccc4)C3)c[nH]c12
InChIInChI=1S/C22H22N2O3/c1-15-6-5-9-18-20(15)23-13-19(21(18)25)22(26)24-10-11-27-17(14-24)12-16-7-3-2-4-8-16/h2-9,13,17H,10-12,14H2,1H3,(H,23,25)
InChIKeySTALDCQOXRXGKL-UHFFFAOYSA-N
XLogP2.92
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one
CID 81197737
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
3-(2-benzylmorpholine-4-carbonyl)chromen-2-one
CID 110740953
[(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 25286761
3-(4-methoxyazepane-1-carbonyl)-8-methyl-1H-quinolin-4-one
CID 167789919
[(2R)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 25286762
5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione
CID 132971327
3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110740947
(2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone
CID 168940338
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
(4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 95554052

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one?
The IUPAC name of 3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one (CID 56867974) is 3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one is Cc1cccc2c(=O)c(C(=O)N3CCOC(Cc4ccccc4)C3)c[nH]c12.
What is the InChIKey of 3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one?
The InChIKey is STALDCQOXRXGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15-6-5-9-18-20(15)23-13-19(21(18)25)22(26)24-10-11-27-17(14-24)12-16-7-3-2-4-8-16/h2-9,13,17H,10-12,14H2,1H3,(H,23,25).
What are the key properties of 3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one?
3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one has a molecular weight of 362.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one is sourced from PubChem (CID 56867974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).