3-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one

C18H18Cl2N2O3 — CID 56746167

IUPAC3-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one
SMILESCc1ccc(C(=O)N2CCOC(c3ccc(Cl)c(Cl)c3)C2)c(=O)n1C
InChIInChI=1S/C18H18Cl2N2O3/c1-11-3-5-13(17(23)21(11)2)18(24)22-7-8-25-16(10-22)12-4-6-14(19)15(20)9-12/h3-6,9,16H,7-8,10H2,1-2H3
InChIKeyKIVJTNUIJLYOIW-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.21
Rot. Bonds2

About 3-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one

3-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one (PubChem CID 56746167) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 3-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one
PubChem CID56746167
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name3-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one
SMILESCc1ccc(C(=O)N2CCOC(c3ccc(Cl)c(Cl)c3)C2)c(=O)n1C
InChIInChI=1S/C18H18Cl2N2O3/c1-11-3-5-13(17(23)21(11)2)18(24)22-7-8-25-16(10-22)12-4-6-14(19)15(20)9-12/h3-6,9,16H,7-8,10H2,1-2H3
InChIKeyKIVJTNUIJLYOIW-UHFFFAOYSA-N
XLogP3.21
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one (CID 56746167) is 3-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one is Cc1ccc(C(=O)N2CCOC(c3ccc(Cl)c(Cl)c3)C2)c(=O)n1C.
What is the InChIKey of 3-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one?
The InChIKey is KIVJTNUIJLYOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-11-3-5-13(17(23)21(11)2)18(24)22-7-8-25-16(10-22)12-4-6-14(19)15(20)9-12/h3-6,9,16H,7-8,10H2,1-2H3.
What are the key properties of 3-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one?
3-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one has a molecular weight of 381.26 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 56746167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).