ethyl 3-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-3-oxopropanoate

C20H17ClN2O4 — CID 10500272

IUPACethyl 3-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)Nc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C20H17ClN2O4/c1-2-27-17(25)11-16(24)23-19-14-9-8-13(21)10-15(14)22-20(26)18(19)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H2,22,23,24,26)
InChIKeyQLIVXXJOASVTNK-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.74
Rot. Bonds5

About ethyl 3-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-3-oxopropanoate

ethyl 3-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-3-oxopropanoate (PubChem CID 10500272) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is ethyl 3-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-3-oxopropanoate
PubChem CID10500272
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Nameethyl 3-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)Nc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C20H17ClN2O4/c1-2-27-17(25)11-16(24)23-19-14-9-8-13(21)10-15(14)22-20(26)18(19)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H2,22,23,24,26)
InChIKeyQLIVXXJOASVTNK-UHFFFAOYSA-N
XLogP3.74
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)acetamide
CID 10686612
methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetate
CID 10594476
7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carbonyl chloride
CID 10495745
N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)benzenesulfonamide
CID 10501747
2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetamide
CID 10711401
ethyl 3-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)benzoate
CID 59654994
ethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate
CID 92888655
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide
CID 18368229
ethyl 3-[(7-chloro-3-nitro-2-oxo-1H-quinolin-4-yl)amino]propanoate
CID 10088592
N-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide
CID 44561346
ethyl 3-anilino-3-oxopropanoate
CID 3016808
methyl 5-[(2-benzoyl-6-chloro-1H-indol-3-yl)amino]-4-methyl-5-oxopentanoate
CID 18367919

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-3-oxopropanoate?
The IUPAC name of ethyl 3-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-3-oxopropanoate (CID 10500272) is ethyl 3-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-3-oxopropanoate is CCOC(=O)CC(=O)Nc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of ethyl 3-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-3-oxopropanoate?
The InChIKey is QLIVXXJOASVTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-2-27-17(25)11-16(24)23-19-14-9-8-13(21)10-15(14)22-20(26)18(19)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H2,22,23,24,26).
What are the key properties of ethyl 3-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-3-oxopropanoate?
ethyl 3-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-3-oxopropanoate has a molecular weight of 384.82 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-3-oxopropanoate is sourced from PubChem (CID 10500272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).