dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate

C24H20N4O5 — CID 108788953

IUPACdimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cnn(-c3ccc4ccccc4n3)c2C)c1
InChIInChI=1S/C24H20N4O5/c1-14-18(13-25-28(14)21-11-9-15-6-4-5-7-19(15)26-21)22(29)27-20-12-16(23(30)32-2)8-10-17(20)24(31)33-3/h4-13H,1-3H3,(H,27,29)
InChIKeyOEEASWYBRMNOAZ-UHFFFAOYSA-N
MW444.45 g/mol
LogP3.55
Rot. Bonds5

About dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate

dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate (PubChem CID 108788953) has the molecular formula C24H20N4O5 and a molecular weight of 444.45 g/mol. Its IUPAC name is dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate
PubChem CID108788953
Molecular FormulaC24H20N4O5
Molecular Weight444.45 g/mol
Exact Mass444.14
IUPAC Namedimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cnn(-c3ccc4ccccc4n3)c2C)c1
InChIInChI=1S/C24H20N4O5/c1-14-18(13-25-28(14)21-11-9-15-6-4-5-7-19(15)26-21)22(29)27-20-12-16(23(30)32-2)8-10-17(20)24(31)33-3/h4-13H,1-3H3,(H,27,29)
InChIKeyOEEASWYBRMNOAZ-UHFFFAOYSA-N
XLogP3.55
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801781
N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801834
N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788906
N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789021
butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 108788917
N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801833
N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788844
methyl 5-ethyl-1-quinolin-2-ylpyrazole-4-carboxylate
CID 18384988
5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 136834812
N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938
N-(2-hydroxypropyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789019
5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788845

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate (CID 108788953) is dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cnn(-c3ccc4ccccc4n3)c2C)c1.
What is the InChIKey of dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate?
The InChIKey is OEEASWYBRMNOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O5/c1-14-18(13-25-28(14)21-11-9-15-6-4-5-7-19(15)26-21)22(29)27-20-12-16(23(30)32-2)8-10-17(20)24(31)33-3/h4-13H,1-3H3,(H,27,29).
What are the key properties of dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate?
dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate has a molecular weight of 444.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 108788953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).