methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate

C24H21N3O4 — CID 24604370

IUPACmethyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate
SMILESCOC(=O)c1c(COC(=O)c2ccc(Cn3cccn3)cc2)nc2ccccc2c1C
InChIInChI=1S/C24H21N3O4/c1-16-19-6-3-4-7-20(19)26-21(22(16)24(29)30-2)15-31-23(28)18-10-8-17(9-11-18)14-27-13-5-12-25-27/h3-13H,14-15H2,1-2H3
InChIKeyJVUCCAWVAUIKBQ-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.93
Rot. Bonds6

About methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate

methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate (PubChem CID 24604370) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate
PubChem CID24604370
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Namemethyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate
SMILESCOC(=O)c1c(COC(=O)c2ccc(Cn3cccn3)cc2)nc2ccccc2c1C
InChIInChI=1S/C24H21N3O4/c1-16-19-6-3-4-7-20(19)26-21(22(16)24(29)30-2)15-31-23(28)18-10-8-17(9-11-18)14-27-13-5-12-25-27/h3-13H,14-15H2,1-2H3
InChIKeyJVUCCAWVAUIKBQ-UHFFFAOYSA-N
XLogP3.93
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-methyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]quinoline-3-carboxylate
CID 8925535
ethyl 2-[(4-formylbenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate
CID 4853451
methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate
CID 8603013
pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate
CID 46562089
benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18144423
methyl 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 9128687
(3-methoxycarbonyl-4-methylquinolin-2-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 27717310
methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 18225715
(4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501789
(3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate
CID 18141838
methyl 2,4-dimethyl-5-[2-[4-(pyrazol-1-ylmethyl)benzoyl]oxypropanoyl]-1H-pyrrole-3-carboxylate
CID 46687652
methyl 2-(azocan-1-ylmethyl)-4-methylquinoline-3-carboxylate
CID 8679831

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate?
The IUPAC name of methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate (CID 24604370) is methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate is COC(=O)c1c(COC(=O)c2ccc(Cn3cccn3)cc2)nc2ccccc2c1C.
What is the InChIKey of methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate?
The InChIKey is JVUCCAWVAUIKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-16-19-6-3-4-7-20(19)26-21(22(16)24(29)30-2)15-31-23(28)18-10-8-17(9-11-18)14-27-13-5-12-25-27/h3-13H,14-15H2,1-2H3.
What are the key properties of methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate?
methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate has a molecular weight of 415.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate is sourced from PubChem (CID 24604370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).