butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate

C25H24N4O3 — CID 108788917

IUPACbutyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)c1cnn(-c2ccc3ccccc3n2)c1C
InChIInChI=1S/C25H24N4O3/c1-3-4-15-32-25(31)19-10-6-8-12-22(19)28-24(30)20-16-26-29(17(20)2)23-14-13-18-9-5-7-11-21(18)27-23/h5-14,16H,3-4,15H2,1-2H3,(H,28,30)
InChIKeyNAZMLMMGQIVHAX-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.94
Rot. Bonds7

About butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate

butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate (PubChem CID 108788917) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namebutyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate
PubChem CID108788917
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Namebutyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)c1cnn(-c2ccc3ccccc3n2)c1C
InChIInChI=1S/C25H24N4O3/c1-3-4-15-32-25(31)19-10-6-8-12-22(19)28-24(30)20-16-26-29(17(20)2)23-14-13-18-9-5-7-11-21(18)27-23/h5-14,16H,3-4,15H2,1-2H3,(H,28,30)
InChIKeyNAZMLMMGQIVHAX-UHFFFAOYSA-N
XLogP4.94
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate with MolForge

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Related Compounds

ethyl 5-(butoxycarbonylamino)-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108746956
dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate
CID 108788953
ethyl 5-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108746974
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938
N-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801781
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
N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801834
N-(2-hydroxypropyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789019
5-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801801
5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108810824

Frequently Asked Questions

What is the IUPAC name of butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate?
The IUPAC name of butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate (CID 108788917) is butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate?
The canonical SMILES for butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate is CCCCOC(=O)c1ccccc1NC(=O)c1cnn(-c2ccc3ccccc3n2)c1C.
What is the InChIKey of butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate?
The InChIKey is NAZMLMMGQIVHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-3-4-15-32-25(31)19-10-6-8-12-22(19)28-24(30)20-16-26-29(17(20)2)23-14-13-18-9-5-7-11-21(18)27-23/h5-14,16H,3-4,15H2,1-2H3,(H,28,30).
What are the key properties of butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate?
butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate has a molecular weight of 428.49 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 108788917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).