1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid

C18H19ClN2O4 — CID 110129655

IUPAC1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CC(c2ccc(Cl)cc2)N2CCOCC2)c1
InChIInChI=1S/C18H19ClN2O4/c19-15-4-1-13(2-5-15)16(20-7-9-25-10-8-20)12-21-11-14(18(23)24)3-6-17(21)22/h1-6,11,16H,7-10,12H2,(H,23,24)
InChIKeyFVIDUENFUQQZBZ-UHFFFAOYSA-N
MW362.81 g/mol
LogP2.27
Rot. Bonds5

About 1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid

1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 110129655) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid
PubChem CID110129655
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CC(c2ccc(Cl)cc2)N2CCOCC2)c1
InChIInChI=1S/C18H19ClN2O4/c19-15-4-1-13(2-5-15)16(20-7-9-25-10-8-20)12-21-11-14(18(23)24)3-6-17(21)22/h1-6,11,16H,7-10,12H2,(H,23,24)
InChIKeyFVIDUENFUQQZBZ-UHFFFAOYSA-N
XLogP2.27
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid (CID 110129655) is 1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(CC(c2ccc(Cl)cc2)N2CCOCC2)c1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is FVIDUENFUQQZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c19-15-4-1-13(2-5-15)16(20-7-9-25-10-8-20)12-21-11-14(18(23)24)3-6-17(21)22/h1-6,11,16H,7-10,12H2,(H,23,24).
What are the key properties of 1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid?
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 362.81 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 110129655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).