methyl 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C19H18N4O4 — CID 121240035

IUPACmethyl 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(CC(=O)N2CCCc3ccccc32)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C19H18N4O4/c1-27-19(26)14-10-22(9-13-17(14)20-21-18(13)25)11-16(24)23-8-4-6-12-5-2-3-7-15(12)23/h2-3,5,7,9-10H,4,6,8,11H2,1H3,(H,21,25)
InChIKeyBLGNDRGYHNDIOF-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.44
Rot. Bonds3

About methyl 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 121240035) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is methyl 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID121240035
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Namemethyl 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(CC(=O)N2CCCc3ccccc32)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C19H18N4O4/c1-27-19(26)14-10-22(9-13-17(14)20-21-18(13)25)11-16(24)23-8-4-6-12-5-2-3-7-15(12)23/h2-3,5,7,9-10H,4,6,8,11H2,1H3,(H,21,25)
InChIKeyBLGNDRGYHNDIOF-UHFFFAOYSA-N
XLogP1.44
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate with MolForge

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Related Compounds

methyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240464
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one
CID 4794809
methyl 5-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 124878924
methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95637304
methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
CID 109034949
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240626
(5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2126300
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112532191
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
CID 2361400

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 121240035) is methyl 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(CC(=O)N2CCCc3ccccc32)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is BLGNDRGYHNDIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-27-19(26)14-10-22(9-13-17(14)20-21-18(13)25)11-16(24)23-8-4-6-12-5-2-3-7-15(12)23/h2-3,5,7,9-10H,4,6,8,11H2,1H3,(H,21,25).
What are the key properties of methyl 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 366.38 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 121240035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).