3-methyl-6-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]-1H-quinolin-2-one

C17H20N2O3 — CID 110309856

IUPAC3-methyl-6-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]-1H-quinolin-2-one
SMILESCc1cc2cc(CC(=O)N3CCOCC3C)ccc2[nH]c1=O
InChIInChI=1S/C17H20N2O3/c1-11-7-14-8-13(3-4-15(14)18-17(11)21)9-16(20)19-5-6-22-10-12(19)2/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,18,21)
InChIKeyYMBOTTMGTACLKW-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.63
Rot. Bonds2

About 3-methyl-6-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]-1H-quinolin-2-one

3-methyl-6-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]-1H-quinolin-2-one (PubChem CID 110309856) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-methyl-6-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-methyl-6-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]-1H-quinolin-2-one
PubChem CID110309856
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-methyl-6-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]-1H-quinolin-2-one
SMILESCc1cc2cc(CC(=O)N3CCOCC3C)ccc2[nH]c1=O
InChIInChI=1S/C17H20N2O3/c1-11-7-14-8-13(3-4-15(14)18-17(11)21)9-16(20)19-5-6-22-10-12(19)2/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,18,21)
InChIKeyYMBOTTMGTACLKW-UHFFFAOYSA-N
XLogP1.63
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone
CID 106773667
N'-hydroxy-4-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]benzenecarboximidamide
CID 77000982
3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110390077
3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
CID 110631026
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110303379
2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid
CID 106773928
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110300545
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-(3-methylmorpholin-4-yl)ethanone
CID 56811981
3-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 136566373
(3S)-4-[2-(3,4-difluorophenyl)acetyl]morpholine-3-carboxylic acid
CID 124517346
1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 112537756
N-cyclopropyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390059

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]-1H-quinolin-2-one?
The IUPAC name of 3-methyl-6-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]-1H-quinolin-2-one (CID 110309856) is 3-methyl-6-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-methyl-6-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]-1H-quinolin-2-one?
The canonical SMILES for 3-methyl-6-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]-1H-quinolin-2-one is Cc1cc2cc(CC(=O)N3CCOCC3C)ccc2[nH]c1=O.
What is the InChIKey of 3-methyl-6-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]-1H-quinolin-2-one?
The InChIKey is YMBOTTMGTACLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-7-14-8-13(3-4-15(14)18-17(11)21)9-16(20)19-5-6-22-10-12(19)2/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,18,21).
What are the key properties of 3-methyl-6-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]-1H-quinolin-2-one?
3-methyl-6-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]-1H-quinolin-2-one has a molecular weight of 300.36 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]-1H-quinolin-2-one is sourced from PubChem (CID 110309856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).