ethyl 3-[[5-(3-methylquinolin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate

C18H18N4O3 — CID 67408765

IUPACethyl 3-[[5-(3-methylquinolin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)Nc1cc(-c2nc3ccccc3cc2C)[nH]n1
InChIInChI=1S/C18H18N4O3/c1-3-25-17(24)10-16(23)20-15-9-14(21-22-15)18-11(2)8-12-6-4-5-7-13(12)19-18/h4-9H,3,10H2,1-2H3,(H2,20,21,22,23)
InChIKeyHNJPNKZBAFVYLP-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.83
Rot. Bonds5

About ethyl 3-[[5-(3-methylquinolin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate

ethyl 3-[[5-(3-methylquinolin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate (PubChem CID 67408765) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is ethyl 3-[[5-(3-methylquinolin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[[5-(3-methylquinolin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate
PubChem CID67408765
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Nameethyl 3-[[5-(3-methylquinolin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)Nc1cc(-c2nc3ccccc3cc2C)[nH]n1
InChIInChI=1S/C18H18N4O3/c1-3-25-17(24)10-16(23)20-15-9-14(21-22-15)18-11(2)8-12-6-4-5-7-13(12)19-18/h4-9H,3,10H2,1-2H3,(H2,20,21,22,23)
InChIKeyHNJPNKZBAFVYLP-UHFFFAOYSA-N
XLogP2.83
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 3-[[5-(3-methylquinolin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate with MolForge

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Related Compounds

3-[[5-(3-ethylquinoxalin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoic acid
CID 141303710
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CID 790147
ethyl 3-oxo-3-quinolin-3-ylpropanoate
CID 22925293
ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate
CID 110474185
ethyl 3-anilino-3-oxopropanoate
CID 3016808
N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 110868179
ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 17251680
3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide
CID 71847066
(3-methylquinolin-2-yl)urea
CID 141055729
ethyl (E)-3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]amino]but-2-enoate
CID 786793
ethyl 2-cinnolin-3-ylacetate
CID 150533502
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[5-(3-methylquinolin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate?
The IUPAC name of ethyl 3-[[5-(3-methylquinolin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate (CID 67408765) is ethyl 3-[[5-(3-methylquinolin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[[5-(3-methylquinolin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[[5-(3-methylquinolin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate is CCOC(=O)CC(=O)Nc1cc(-c2nc3ccccc3cc2C)[nH]n1.
What is the InChIKey of ethyl 3-[[5-(3-methylquinolin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate?
The InChIKey is HNJPNKZBAFVYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-3-25-17(24)10-16(23)20-15-9-14(21-22-15)18-11(2)8-12-6-4-5-7-13(12)19-18/h4-9H,3,10H2,1-2H3,(H2,20,21,22,23).
What are the key properties of ethyl 3-[[5-(3-methylquinolin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate?
ethyl 3-[[5-(3-methylquinolin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate has a molecular weight of 338.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[5-(3-methylquinolin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate is sourced from PubChem (CID 67408765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).