1-[(3,4-dichlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one

C17H16Cl2N2O3 — CID 1478456

IUPAC1-[(3,4-dichlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one
SMILESO=C(c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)N1CCOCC1
InChIInChI=1S/C17H16Cl2N2O3/c18-14-4-3-12(10-15(14)19)11-21-5-1-2-13(17(21)23)16(22)20-6-8-24-9-7-20/h1-5,10H,6-9,11H2
InChIKeyWPTSKQJHCFWJJU-UHFFFAOYSA-N
MW367.23 g/mol
LogP2.68
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one

1-[(3,4-dichlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one (PubChem CID 1478456) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one
PubChem CID1478456
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one
SMILESO=C(c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)N1CCOCC1
InChIInChI=1S/C17H16Cl2N2O3/c18-14-4-3-12(10-15(14)19)11-21-5-1-2-13(17(21)23)16(22)20-6-8-24-9-7-20/h1-5,10H,6-9,11H2
InChIKeyWPTSKQJHCFWJJU-UHFFFAOYSA-N
XLogP2.68
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one (CID 1478456) is 1-[(3,4-dichlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one is O=C(c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)N1CCOCC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one?
The InChIKey is WPTSKQJHCFWJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c18-14-4-3-12(10-15(14)19)11-21-5-1-2-13(17(21)23)16(22)20-6-8-24-9-7-20/h1-5,10H,6-9,11H2.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one?
1-[(3,4-dichlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one has a molecular weight of 367.23 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one is sourced from PubChem (CID 1478456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).