ethyl 5-[(5-oxo-5-phenylpentanoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate

C26H24N4O4 — CID 108746971

IUPACethyl 5-[(5-oxo-5-phenylpentanoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc3ccccc3n2)c1NC(=O)CCCC(=O)c1ccccc1
InChIInChI=1S/C26H24N4O4/c1-2-34-26(33)20-17-27-30(23-16-15-18-9-6-7-12-21(18)28-23)25(20)29-24(32)14-8-13-22(31)19-10-4-3-5-11-19/h3-7,9-12,15-17H,2,8,13-14H2,1H3,(H,29,32)
InChIKeySRRDDOOMZRIMRR-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.59
Rot. Bonds9

About ethyl 5-[(5-oxo-5-phenylpentanoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate

ethyl 5-[(5-oxo-5-phenylpentanoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate (PubChem CID 108746971) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is ethyl 5-[(5-oxo-5-phenylpentanoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(5-oxo-5-phenylpentanoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate
PubChem CID108746971
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Nameethyl 5-[(5-oxo-5-phenylpentanoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc3ccccc3n2)c1NC(=O)CCCC(=O)c1ccccc1
InChIInChI=1S/C26H24N4O4/c1-2-34-26(33)20-17-27-30(23-16-15-18-9-6-7-12-21(18)28-23)25(20)29-24(32)14-8-13-22(31)19-10-4-3-5-11-19/h3-7,9-12,15-17H,2,8,13-14H2,1H3,(H,29,32)
InChIKeySRRDDOOMZRIMRR-UHFFFAOYSA-N
XLogP4.59
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108769131
ethyl 5-(butoxycarbonylamino)-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108746956
ethyl 5-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747543
ethyl 5-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108746974
ethyl 5-[[4-(2-methoxyphenyl)-4-oxobutanoyl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747561
ethyl 5-(butanoylamino)-1-phenylpyrazole-4-carboxylate
CID 5054602
ethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate
CID 108747257
ethyl 5-[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108769619
ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108769140
ethyl 5-[[(Z)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108769134
ethyl 5-(methoxycarbonylamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747535
N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746111

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(5-oxo-5-phenylpentanoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(5-oxo-5-phenylpentanoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate (CID 108746971) is ethyl 5-[(5-oxo-5-phenylpentanoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(5-oxo-5-phenylpentanoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(5-oxo-5-phenylpentanoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc3ccccc3n2)c1NC(=O)CCCC(=O)c1ccccc1.
What is the InChIKey of ethyl 5-[(5-oxo-5-phenylpentanoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate?
The InChIKey is SRRDDOOMZRIMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-2-34-26(33)20-17-27-30(23-16-15-18-9-6-7-12-21(18)28-23)25(20)29-24(32)14-8-13-22(31)19-10-4-3-5-11-19/h3-7,9-12,15-17H,2,8,13-14H2,1H3,(H,29,32).
What are the key properties of ethyl 5-[(5-oxo-5-phenylpentanoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate?
ethyl 5-[(5-oxo-5-phenylpentanoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate has a molecular weight of 456.50 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(5-oxo-5-phenylpentanoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 108746971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).