benzyl 3-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate

C20H19NO5 — CID 11337141

IUPACbenzyl 3-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate
SMILESCOC(=O)CC1CN(C(=O)OCc2ccccc2)c2ccccc2C1=O
InChIInChI=1S/C20H19NO5/c1-25-18(22)11-15-12-21(17-10-6-5-9-16(17)19(15)23)20(24)26-13-14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3
InChIKeyXNYISGPWLSQRBS-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.21
Rot. Bonds4

About benzyl 3-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate

benzyl 3-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate (PubChem CID 11337141) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is benzyl 3-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate
PubChem CID11337141
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Namebenzyl 3-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate
SMILESCOC(=O)CC1CN(C(=O)OCc2ccccc2)c2ccccc2C1=O
InChIInChI=1S/C20H19NO5/c1-25-18(22)11-15-12-21(17-10-6-5-9-16(17)19(15)23)20(24)26-13-14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3
InChIKeyXNYISGPWLSQRBS-UHFFFAOYSA-N
XLogP3.21
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (3S)-3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 58834378
benzyl (3S)-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylate;trifluoromethylbenzene
CID 143554181
benzyl 3,5-dioxo-2H-1,4-benzodiazepine-1-carboxylate
CID 11185974
benzyl (3S)-3-acetyloxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 70085551
benzyl (2R)-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 22882600
benzyl 3-hydroxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 85341259
benzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 54108508
4-phenylmethoxycarbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 60726434
benzyl (3S)-3-(methoxymethylcarbamoyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 70086052
methyl 2-[(2S,5S)-5-(2-methoxy-2-oxoethyl)-3,6-dioxo-1,4-bis(2-oxo-2-phenylmethoxyethyl)piperazin-2-yl]acetate
CID 11215029
1-O-benzyl 3-O-methyl 2-oxopiperidine-1,3-dicarboxylate
CID 54081936
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3R)-1-phenylmethoxycarbonyl-2,3-dihydroindol-3-yl]propanoic acid
CID 10906312

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate?
The IUPAC name of benzyl 3-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate (CID 11337141) is benzyl 3-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate.
What is the SMILES notation for benzyl 3-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate?
The canonical SMILES for benzyl 3-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate is COC(=O)CC1CN(C(=O)OCc2ccccc2)c2ccccc2C1=O.
What is the InChIKey of benzyl 3-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate?
The InChIKey is XNYISGPWLSQRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-25-18(22)11-15-12-21(17-10-6-5-9-16(17)19(15)23)20(24)26-13-14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3.
What are the key properties of benzyl 3-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate?
benzyl 3-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate has a molecular weight of 353.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate is sourced from PubChem (CID 11337141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).