N-[2-(2-chlorophenoxy)ethyl]-1-methyl-2,3-dioxo-4H-quinoline-4-carboxamide

C19H17ClN2O4 — CID 71548529

IUPACN-[2-(2-chlorophenoxy)ethyl]-1-methyl-2,3-dioxo-4H-quinoline-4-carboxamide
SMILESCN1C(=O)C(=O)C(C(=O)NCCOc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C19H17ClN2O4/c1-22-14-8-4-2-6-12(14)16(17(23)19(22)25)18(24)21-10-11-26-15-9-5-3-7-13(15)20/h2-9,16H,10-11H2,1H3,(H,21,24)
InChIKeyTYXGVVDMFDPZFB-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.16
Rot. Bonds5

About N-[2-(2-chlorophenoxy)ethyl]-1-methyl-2,3-dioxo-4H-quinoline-4-carboxamide

N-[2-(2-chlorophenoxy)ethyl]-1-methyl-2,3-dioxo-4H-quinoline-4-carboxamide (PubChem CID 71548529) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-1-methyl-2,3-dioxo-4H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-1-methyl-2,3-dioxo-4H-quinoline-4-carboxamide
PubChem CID71548529
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-1-methyl-2,3-dioxo-4H-quinoline-4-carboxamide
SMILESCN1C(=O)C(=O)C(C(=O)NCCOc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C19H17ClN2O4/c1-22-14-8-4-2-6-12(14)16(17(23)19(22)25)18(24)21-10-11-26-15-9-5-3-7-13(15)20/h2-9,16H,10-11H2,1H3,(H,21,24)
InChIKeyTYXGVVDMFDPZFB-UHFFFAOYSA-N
XLogP2.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-1-methyl-2,3-dioxo-4H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-1-methyl-2,3-dioxo-4H-quinoline-4-carboxamide (CID 71548529) is N-[2-(2-chlorophenoxy)ethyl]-1-methyl-2,3-dioxo-4H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-1-methyl-2,3-dioxo-4H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-1-methyl-2,3-dioxo-4H-quinoline-4-carboxamide is CN1C(=O)C(=O)C(C(=O)NCCOc2ccccc2Cl)c2ccccc21.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-1-methyl-2,3-dioxo-4H-quinoline-4-carboxamide?
The InChIKey is TYXGVVDMFDPZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-22-14-8-4-2-6-12(14)16(17(23)19(22)25)18(24)21-10-11-26-15-9-5-3-7-13(15)20/h2-9,16H,10-11H2,1H3,(H,21,24).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-1-methyl-2,3-dioxo-4H-quinoline-4-carboxamide?
N-[2-(2-chlorophenoxy)ethyl]-1-methyl-2,3-dioxo-4H-quinoline-4-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-1-methyl-2,3-dioxo-4H-quinoline-4-carboxamide is sourced from PubChem (CID 71548529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).