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

C18H13ClN2O4 — CID 10594476

IUPACmethyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C18H13ClN2O4/c1-25-18(24)17(23)21-15-12-8-7-11(19)9-13(12)20-16(22)14(15)10-5-3-2-4-6-10/h2-9H,1H3,(H2,20,21,22,23)
InChIKeyDITCHBNAFIQQHK-UHFFFAOYSA-N
MW356.77 g/mol
LogP2.96
Rot. Bonds2

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

methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetate (PubChem CID 10594476) has the molecular formula C18H13ClN2O4 and a molecular weight of 356.77 g/mol. Its IUPAC name is methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetate
PubChem CID10594476
Molecular FormulaC18H13ClN2O4
Molecular Weight356.77 g/mol
Exact Mass356.06
IUPAC Namemethyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C18H13ClN2O4/c1-25-18(24)17(23)21-15-12-8-7-11(19)9-13(12)20-16(22)14(15)10-5-3-2-4-6-10/h2-9H,1H3,(H2,20,21,22,23)
InChIKeyDITCHBNAFIQQHK-UHFFFAOYSA-N
XLogP2.96
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetate (CID 10594476) is methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetate is COC(=O)C(=O)Nc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetate?
The InChIKey is DITCHBNAFIQQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O4/c1-25-18(24)17(23)21-15-12-8-7-11(19)9-13(12)20-16(22)14(15)10-5-3-2-4-6-10/h2-9H,1H3,(H2,20,21,22,23).
What are the key properties of methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetate?
methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetate has a molecular weight of 356.77 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetate is sourced from PubChem (CID 10594476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).