[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

C20H24N2O4 — CID 71888056

IUPAC[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCC(C)N(C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)C1CCCC1
InChIInChI=1S/C20H24N2O4/c1-13(2)22(14-7-3-4-8-14)19(24)12-26-20(25)16-11-18(23)21-17-10-6-5-9-15(16)17/h5-6,9-11,13-14H,3-4,7-8,12H2,1-2H3,(H,21,23)
InChIKeyUUOVAERMPHFKIQ-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.86
Rot. Bonds5

About [2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 71888056) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is [2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID71888056
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCC(C)N(C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)C1CCCC1
InChIInChI=1S/C20H24N2O4/c1-13(2)22(14-7-3-4-8-14)19(24)12-26-20(25)16-11-18(23)21-17-10-6-5-9-15(16)17/h5-6,9-11,13-14H,3-4,7-8,12H2,1-2H3,(H,21,23)
InChIKeyUUOVAERMPHFKIQ-UHFFFAOYSA-N
XLogP2.86
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 71888056) is [2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is CC(C)N(C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)C1CCCC1.
What is the InChIKey of [2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is UUOVAERMPHFKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13(2)22(14-7-3-4-8-14)19(24)12-26-20(25)16-11-18(23)21-17-10-6-5-9-15(16)17/h5-6,9-11,13-14H,3-4,7-8,12H2,1-2H3,(H,21,23).
What are the key properties of [2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 356.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 71888056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).