[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate

C24H21N3O4 — CID 135766674

IUPAC[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
SMILESN#CC1(NC(=O)COC(=O)c2cc(-c3ccc(O)cc3)nc3ccccc23)CCCC1
InChIInChI=1S/C24H21N3O4/c25-15-24(11-3-4-12-24)27-22(29)14-31-23(30)19-13-21(16-7-9-17(28)10-8-16)26-20-6-2-1-5-18(19)20/h1-2,5-10,13,28H,3-4,11-12,14H2,(H,27,29)
InChIKeyXFZHHCVCTNSOLI-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.72
Rot. Bonds5

About [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate (PubChem CID 135766674) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
PubChem CID135766674
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
SMILESN#CC1(NC(=O)COC(=O)c2cc(-c3ccc(O)cc3)nc3ccccc23)CCCC1
InChIInChI=1S/C24H21N3O4/c25-15-24(11-3-4-12-24)27-22(29)14-31-23(30)19-13-21(16-7-9-17(28)10-8-16)26-20-6-2-1-5-18(19)20/h1-2,5-10,13,28H,3-4,11-12,14H2,(H,27,29)
InChIKeyXFZHHCVCTNSOLI-UHFFFAOYSA-N
XLogP3.72
TPSA112.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-hydroxyphenyl)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

Related Compounds

[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] naphthalene-1-carboxylate
CID 7377287
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135809736
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] anthracene-9-carboxylate
CID 7786656
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8011238
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42011230
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8607284
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-benzoylbenzoate
CID 7865547
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 7418016
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-bromobenzoate
CID 7476853
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 7175271
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 16528654
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7505736

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate?
The IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate (CID 135766674) is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate is N#CC1(NC(=O)COC(=O)c2cc(-c3ccc(O)cc3)nc3ccccc23)CCCC1.
What is the InChIKey of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate?
The InChIKey is XFZHHCVCTNSOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c25-15-24(11-3-4-12-24)27-22(29)14-31-23(30)19-13-21(16-7-9-17(28)10-8-16)26-20-6-2-1-5-18(19)20/h1-2,5-10,13,28H,3-4,11-12,14H2,(H,27,29).
What are the key properties of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate?
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate has a molecular weight of 415.45 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 135766674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).