[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate

C20H20N4O3 — CID 7812495

IUPAC[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2n1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C20H20N4O3/c25-19(23-18-11-12-21-24(18)15-6-2-3-7-15)13-27-20(26)17-10-9-14-5-1-4-8-16(14)22-17/h1,4-5,8-12,15H,2-3,6-7,13H2,(H,23,25)
InChIKeyVTEHMMRIRXWJJZ-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.34
Rot. Bonds5

About [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate (PubChem CID 7812495) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
PubChem CID7812495
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2n1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C20H20N4O3/c25-19(23-18-11-12-21-24(18)15-6-2-3-7-15)13-27-20(26)17-10-9-14-5-1-4-8-16(14)22-17/h1,4-5,8-12,15H,2-3,6-7,13H2,(H,23,25)
InChIKeyVTEHMMRIRXWJJZ-UHFFFAOYSA-N
XLogP3.34
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] quinoline-2-carboxylate
CID 7813108
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7838131
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7980188
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8534684
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785238
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 8708761
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate
CID 7985867
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] (E)-3-(2-bromophenyl)prop-2-enoate
CID 7881853
2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 134702607
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 8645930
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 9406845
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 16512091

Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate?
The IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate (CID 7812495) is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate.
What is the SMILES notation for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate?
The canonical SMILES for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate is O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccnn1C1CCCC1.
What is the InChIKey of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate?
The InChIKey is VTEHMMRIRXWJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-19(23-18-11-12-21-24(18)15-6-2-3-7-15)13-27-20(26)17-10-9-14-5-1-4-8-16(14)22-17/h1,4-5,8-12,15H,2-3,6-7,13H2,(H,23,25).
What are the key properties of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate?
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate has a molecular weight of 364.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate is sourced from PubChem (CID 7812495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).