methyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate

C17H19N3O6 — CID 171387807

IUPACmethyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1C1CC(=O)Nc2cc(OC)c(OC)c(OC)c21
InChIInChI=1S/C17H19N3O6/c1-23-11-6-10-13(16(25-3)15(11)24-2)8(5-12(21)19-10)9-7-18-20-14(9)17(22)26-4/h6-8H,5H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyYSFXWLGHVZPRCW-UHFFFAOYSA-N
MW361.35 g/mol
LogP1.70
Rot. Bonds5

About methyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate

methyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate (PubChem CID 171387807) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is methyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate
PubChem CID171387807
Molecular FormulaC17H19N3O6
Molecular Weight361.35 g/mol
Exact Mass361.13
IUPAC Namemethyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1C1CC(=O)Nc2cc(OC)c(OC)c(OC)c21
InChIInChI=1S/C17H19N3O6/c1-23-11-6-10-13(16(25-3)15(11)24-2)8(5-12(21)19-10)9-7-18-20-14(9)17(22)26-4/h6-8H,5H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyYSFXWLGHVZPRCW-UHFFFAOYSA-N
XLogP1.70
TPSA111.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate with MolForge

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Related Compounds

5,6,7-trimethoxy-4-(1,2-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 169412042
4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 171385412
4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17285543
5,6,7-trimethoxy-4-(6-methoxy-2-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 170508079
5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 17122353
4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 130383098
4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 169414133
1-cyclopentyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632536
(4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 1094722
methyl 2-[[2-methoxy-4-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]methyl]benzoate
CID 163216602
4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2955307
4-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3158483

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate (CID 171387807) is methyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate is COC(=O)c1[nH]ncc1C1CC(=O)Nc2cc(OC)c(OC)c(OC)c21.
What is the InChIKey of methyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate?
The InChIKey is YSFXWLGHVZPRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6/c1-23-11-6-10-13(16(25-3)15(11)24-2)8(5-12(21)19-10)9-7-18-20-14(9)17(22)26-4/h6-8H,5H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of methyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate?
methyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate has a molecular weight of 361.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 171387807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).