1-[2-(2-chlorophenoxy)ethyl]-6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide

C23H20ClN3O4 — CID 71844442

IUPAC1-[2-(2-chlorophenoxy)ethyl]-6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide
SMILESO=C1CCc2cc(NC(=O)c3cccc(=O)n3CCOc3ccccc3Cl)ccc2N1
InChIInChI=1S/C23H20ClN3O4/c24-17-4-1-2-6-20(17)31-13-12-27-19(5-3-7-22(27)29)23(30)25-16-9-10-18-15(14-16)8-11-21(28)26-18/h1-7,9-10,14H,8,11-13H2,(H,25,30)(H,26,28)
InChIKeyLUIGTJVMTUJZES-UHFFFAOYSA-N
MW437.88 g/mol
LogP3.72
Rot. Bonds6

About 1-[2-(2-chlorophenoxy)ethyl]-6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide

1-[2-(2-chlorophenoxy)ethyl]-6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide (PubChem CID 71844442) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide
PubChem CID71844442
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide
SMILESO=C1CCc2cc(NC(=O)c3cccc(=O)n3CCOc3ccccc3Cl)ccc2N1
InChIInChI=1S/C23H20ClN3O4/c24-17-4-1-2-6-20(17)31-13-12-27-19(5-3-7-22(27)29)23(30)25-16-9-10-18-15(14-16)8-11-21(28)26-18/h1-7,9-10,14H,8,11-13H2,(H,25,30)(H,26,28)
InChIKeyLUIGTJVMTUJZES-UHFFFAOYSA-N
XLogP3.72
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-chlorophenoxy)ethyl]-6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

2-(2-chlorophenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 4932099
2-(2-chlorophenoxy)-N-[2-(1-piperidinylcarbonyl)phenyl]acetamide
CID 4936043
2-(2-chlorophenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 4943677
N-benzyl-2-[[2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]benzamide
CID 44425923
1-[2-(4-chlorophenoxy)acetyl]-N-methyl-3,4-dihydro-2H-quinoline-2-carboxamide
CID 122192608
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 1016284
N-(3-acetylphenyl)-2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide
CID 2228683
2-(2-chlorophenoxy)-N-[2-(4-morpholinylcarbonyl)phenyl]acetamide
CID 4933102
2-(2-chlorophenoxy)-N-[4-(1-piperidinylcarbonyl)phenyl]acetamide
CID 2985299
2-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 24687582
N-(4-{[(2-chlorophenoxy)acetyl]amino}-2-methylphenyl)benzamide
CID 1371601
2-(4-Chlorophenoxy)-N-(1-cyclopropanecarbonyl-1,2,3,4-tetrahydroquinolin-6-YL)acetamide
CID 7498527

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide (CID 71844442) is 1-[2-(2-chlorophenoxy)ethyl]-6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide is O=C1CCc2cc(NC(=O)c3cccc(=O)n3CCOc3ccccc3Cl)ccc2N1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide?
The InChIKey is LUIGTJVMTUJZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c24-17-4-1-2-6-20(17)31-13-12-27-19(5-3-7-22(27)29)23(30)25-16-9-10-18-15(14-16)8-11-21(28)26-18/h1-7,9-10,14H,8,11-13H2,(H,25,30)(H,26,28).
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide?
1-[2-(2-chlorophenoxy)ethyl]-6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide has a molecular weight of 437.88 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide is sourced from PubChem (CID 71844442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).