3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one

C20H26N2O4 — CID 124755147

IUPAC3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one
SMILESCOCC[C@H]1CN(C(=O)CCc2c(C)[nH]c3ccccc3c2=O)CCO1
InChIInChI=1S/C20H26N2O4/c1-14-16(20(24)17-5-3-4-6-18(17)21-14)7-8-19(23)22-10-12-26-15(13-22)9-11-25-2/h3-6,15H,7-13H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyPTNMQZQHYFYMEO-HNNXBMFYSA-N
MW358.44 g/mol
LogP2.03
Rot. Bonds6

About 3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one

3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one (PubChem CID 124755147) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one
PubChem CID124755147
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one
SMILESCOCC[C@H]1CN(C(=O)CCc2c(C)[nH]c3ccccc3c2=O)CCO1
InChIInChI=1S/C20H26N2O4/c1-14-16(20(24)17-5-3-4-6-18(17)21-14)7-8-19(23)22-10-12-26-15(13-22)9-11-25-2/h3-6,15H,7-13H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyPTNMQZQHYFYMEO-HNNXBMFYSA-N
XLogP2.03
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one with MolForge

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Related Compounds

3-[3-[(6S)-6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one
CID 124752091
2-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50982689
2-[2-[(2R)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 97113197
2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 97113198
3-methyl-8-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46977608
1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone
CID 46986778
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 86790075
N-methyl-3-(2-methyl-4-oxo-1H-quinolin-3-yl)-N-[[(2R)-oxan-2-yl]methyl]propanamide
CID 124754627
2-(2,5-dimethylphenyl)-1-[2-(2-methoxyethyl)morpholin-4-yl]ethanone
CID 91769226
4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxamide
CID 49418941
N-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide
CID 91795462
methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate
CID 25379116

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one?
The IUPAC name of 3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one (CID 124755147) is 3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one is COCC[C@H]1CN(C(=O)CCc2c(C)[nH]c3ccccc3c2=O)CCO1.
What is the InChIKey of 3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one?
The InChIKey is PTNMQZQHYFYMEO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14-16(20(24)17-5-3-4-6-18(17)21-14)7-8-19(23)22-10-12-26-15(13-22)9-11-25-2/h3-6,15H,7-13H2,1-2H3,(H,21,24)/t15-/m0/s1.
What are the key properties of 3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one?
3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one has a molecular weight of 358.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 124755147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).