[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-propan-2-ylquinoline-4-carboxylate

C24H24N2O4 — CID 46827542

IUPAC[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-propan-2-ylquinoline-4-carboxylate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(C(C)C)nc3ccccc23)cc1
InChIInChI=1S/C24H24N2O4/c1-4-23(28)25-17-11-9-16(10-12-17)22(27)14-30-24(29)19-13-21(15(2)3)26-20-8-6-5-7-18(19)20/h5-13,15H,4,14H2,1-3H3,(H,25,28)
InChIKeyPAZZVZDTSMFXJU-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.75
Rot. Bonds7

About [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-propan-2-ylquinoline-4-carboxylate

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-propan-2-ylquinoline-4-carboxylate (PubChem CID 46827542) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-propan-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-propan-2-ylquinoline-4-carboxylate
PubChem CID46827542
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-propan-2-ylquinoline-4-carboxylate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(C(C)C)nc3ccccc23)cc1
InChIInChI=1S/C24H24N2O4/c1-4-23(28)25-17-11-9-16(10-12-17)22(27)14-30-24(29)19-13-21(15(2)3)26-20-8-6-5-7-18(19)20/h5-13,15H,4,14H2,1-3H3,(H,25,28)
InChIKeyPAZZVZDTSMFXJU-UHFFFAOYSA-N
XLogP4.75
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate
CID 7229145
(2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate
CID 1218309
[2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 882322
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 27675446
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate
CID 7782413
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-propan-2-ylquinoline-4-carboxylate
CID 55481598
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate
CID 7477357
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4,5-trimethoxybenzoate
CID 7394924
methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate
CID 55396891
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-propan-2-ylquinoline-4-carboxylate
CID 46609550
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38909124
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228533

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-propan-2-ylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-propan-2-ylquinoline-4-carboxylate (CID 46827542) is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-propan-2-ylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-propan-2-ylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-propan-2-ylquinoline-4-carboxylate is CCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(C(C)C)nc3ccccc23)cc1.
What is the InChIKey of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-propan-2-ylquinoline-4-carboxylate?
The InChIKey is PAZZVZDTSMFXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-4-23(28)25-17-11-9-16(10-12-17)22(27)14-30-24(29)19-13-21(15(2)3)26-20-8-6-5-7-18(19)20/h5-13,15H,4,14H2,1-3H3,(H,25,28).
What are the key properties of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-propan-2-ylquinoline-4-carboxylate?
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-propan-2-ylquinoline-4-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-propan-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 46827542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).