[2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate

C20H17N3O5 — CID 32952776

IUPAC[2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
SMILESN#Cc1cccc(NC(=O)COC(=O)COc2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C20H17N3O5/c21-10-13-2-1-3-15(8-13)22-19(25)11-28-20(26)12-27-16-5-6-17-14(9-16)4-7-18(24)23-17/h1-3,5-6,8-9H,4,7,11-12H2,(H,22,25)(H,23,24)
InChIKeyINJHOOAOACAMAU-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.00
Rot. Bonds6

About [2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate

[2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate (PubChem CID 32952776) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is [2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate.

Molecular Properties

Compound Name[2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
PubChem CID32952776
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name[2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
SMILESN#Cc1cccc(NC(=O)COC(=O)COc2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C20H17N3O5/c21-10-13-2-1-3-15(8-13)22-19(25)11-28-20(26)12-27-16-5-6-17-14(9-16)4-7-18(24)23-17/h1-3,5-6,8-9H,4,7,11-12H2,(H,22,25)(H,23,24)
InChIKeyINJHOOAOACAMAU-UHFFFAOYSA-N
XLogP2.00
TPSA117.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate with MolForge

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Related Compounds

[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 55528240
[2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273984
N-naphthalen-2-yl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 36507480
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenoxyacetamide
CID 18571268
N-[4-(2-methoxyethoxy)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55658148
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 32954032
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854141
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272266
N-dibenzofuran-2-yl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 24652342
[2-(3-cyanoanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 2095980
N-cyclopropyl-4-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide
CID 55559193
2-(2,6-dimethylphenoxy)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 39216117

Frequently Asked Questions

What is the IUPAC name of [2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
The IUPAC name of [2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate (CID 32952776) is [2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate.
What is the SMILES notation for [2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
The canonical SMILES for [2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate is N#Cc1cccc(NC(=O)COC(=O)COc2ccc3c(c2)CCC(=O)N3)c1.
What is the InChIKey of [2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
The InChIKey is INJHOOAOACAMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c21-10-13-2-1-3-15(8-13)22-19(25)11-28-20(26)12-27-16-5-6-17-14(9-16)4-7-18(24)23-17/h1-3,5-6,8-9H,4,7,11-12H2,(H,22,25)(H,23,24).
What are the key properties of [2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
[2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate has a molecular weight of 379.37 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate is sourced from PubChem (CID 32952776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).