[2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(5-phenylfuran-2-yl)propanoate

C24H20N2O4 — CID 46691098

IUPAC[2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(5-phenylfuran-2-yl)propanoate
SMILESO=C(COC(=O)CCc1ccc(-c2ccccc2)o1)Nc1cccc2ncccc12
InChIInChI=1S/C24H20N2O4/c27-23(26-21-10-4-9-20-19(21)8-5-15-25-20)16-29-24(28)14-12-18-11-13-22(30-18)17-6-2-1-3-7-17/h1-11,13,15H,12,14,16H2,(H,26,27)
InChIKeyGGJMXTGCKMPWGP-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.61
Rot. Bonds7

About [2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(5-phenylfuran-2-yl)propanoate

[2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(5-phenylfuran-2-yl)propanoate (PubChem CID 46691098) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is [2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(5-phenylfuran-2-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(5-phenylfuran-2-yl)propanoate
PubChem CID46691098
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name[2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(5-phenylfuran-2-yl)propanoate
SMILESO=C(COC(=O)CCc1ccc(-c2ccccc2)o1)Nc1cccc2ncccc12
InChIInChI=1S/C24H20N2O4/c27-23(26-21-10-4-9-20-19(21)8-5-15-25-20)16-29-24(28)14-12-18-11-13-22(30-18)17-6-2-1-3-7-17/h1-11,13,15H,12,14,16H2,(H,26,27)
InChIKeyGGJMXTGCKMPWGP-UHFFFAOYSA-N
XLogP4.61
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenacyl 3-(5-phenylfuran-2-yl)propanoate
CID 40689141
2-(2-phenylethoxy)-N-quinolin-5-ylacetamide
CID 86871261
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate
CID 40685603
[2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 42295659
[2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate
CID 17485524
[2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate
CID 41352483
2-(2-ethylphenoxy)-N-quinolin-5-ylacetamide
CID 2524325
[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate
CID 41332969
[2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
CID 27058522
2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide
CID 952570
2-(4-hydroxyphenyl)-N-quinolin-5-ylacetamide
CID 78838145
N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide
CID 22587391

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(5-phenylfuran-2-yl)propanoate?
The IUPAC name of [2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(5-phenylfuran-2-yl)propanoate (CID 46691098) is [2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(5-phenylfuran-2-yl)propanoate.
What is the SMILES notation for [2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(5-phenylfuran-2-yl)propanoate?
The canonical SMILES for [2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(5-phenylfuran-2-yl)propanoate is O=C(COC(=O)CCc1ccc(-c2ccccc2)o1)Nc1cccc2ncccc12.
What is the InChIKey of [2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(5-phenylfuran-2-yl)propanoate?
The InChIKey is GGJMXTGCKMPWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c27-23(26-21-10-4-9-20-19(21)8-5-15-25-20)16-29-24(28)14-12-18-11-13-22(30-18)17-6-2-1-3-7-17/h1-11,13,15H,12,14,16H2,(H,26,27).
What are the key properties of [2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(5-phenylfuran-2-yl)propanoate?
[2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(5-phenylfuran-2-yl)propanoate has a molecular weight of 400.43 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(5-phenylfuran-2-yl)propanoate is sourced from PubChem (CID 46691098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).