5-[(3-chlorophenyl)methoxy]-1-methyl-2-(morpholine-4-carbonyl)pyridin-4-one

C18H19ClN2O4 — CID 51054756

IUPAC5-[(3-chlorophenyl)methoxy]-1-methyl-2-(morpholine-4-carbonyl)pyridin-4-one
SMILESCn1cc(OCc2cccc(Cl)c2)c(=O)cc1C(=O)N1CCOCC1
InChIInChI=1S/C18H19ClN2O4/c1-20-11-17(25-12-13-3-2-4-14(19)9-13)16(22)10-15(20)18(23)21-5-7-24-8-6-21/h2-4,9-11H,5-8,12H2,1H3
InChIKeyJPYJBUSRUORXSC-UHFFFAOYSA-N
MW362.81 g/mol
LogP2.09
Rot. Bonds4

About 5-[(3-chlorophenyl)methoxy]-1-methyl-2-(morpholine-4-carbonyl)pyridin-4-one

5-[(3-chlorophenyl)methoxy]-1-methyl-2-(morpholine-4-carbonyl)pyridin-4-one (PubChem CID 51054756) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methoxy]-1-methyl-2-(morpholine-4-carbonyl)pyridin-4-one.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methoxy]-1-methyl-2-(morpholine-4-carbonyl)pyridin-4-one
PubChem CID51054756
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name5-[(3-chlorophenyl)methoxy]-1-methyl-2-(morpholine-4-carbonyl)pyridin-4-one
SMILESCn1cc(OCc2cccc(Cl)c2)c(=O)cc1C(=O)N1CCOCC1
InChIInChI=1S/C18H19ClN2O4/c1-20-11-17(25-12-13-3-2-4-14(19)9-13)16(22)10-15(20)18(23)21-5-7-24-8-6-21/h2-4,9-11H,5-8,12H2,1H3
InChIKeyJPYJBUSRUORXSC-UHFFFAOYSA-N
XLogP2.09
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methoxy]-1-methyl-2-(morpholine-4-carbonyl)pyridin-4-one?
The IUPAC name of 5-[(3-chlorophenyl)methoxy]-1-methyl-2-(morpholine-4-carbonyl)pyridin-4-one (CID 51054756) is 5-[(3-chlorophenyl)methoxy]-1-methyl-2-(morpholine-4-carbonyl)pyridin-4-one.
What is the SMILES notation for 5-[(3-chlorophenyl)methoxy]-1-methyl-2-(morpholine-4-carbonyl)pyridin-4-one?
The canonical SMILES for 5-[(3-chlorophenyl)methoxy]-1-methyl-2-(morpholine-4-carbonyl)pyridin-4-one is Cn1cc(OCc2cccc(Cl)c2)c(=O)cc1C(=O)N1CCOCC1.
What is the InChIKey of 5-[(3-chlorophenyl)methoxy]-1-methyl-2-(morpholine-4-carbonyl)pyridin-4-one?
The InChIKey is JPYJBUSRUORXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-20-11-17(25-12-13-3-2-4-14(19)9-13)16(22)10-15(20)18(23)21-5-7-24-8-6-21/h2-4,9-11H,5-8,12H2,1H3.
What are the key properties of 5-[(3-chlorophenyl)methoxy]-1-methyl-2-(morpholine-4-carbonyl)pyridin-4-one?
5-[(3-chlorophenyl)methoxy]-1-methyl-2-(morpholine-4-carbonyl)pyridin-4-one has a molecular weight of 362.81 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methoxy]-1-methyl-2-(morpholine-4-carbonyl)pyridin-4-one is sourced from PubChem (CID 51054756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).