5-methoxy-2-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1H-pyridin-4-one

C22H22N2O5 — CID 56860999

IUPAC5-methoxy-2-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1H-pyridin-4-one
SMILESCOc1ccc2cc(C3CN(C(=O)c4cc(=O)c(OC)c[nH]4)CCO3)ccc2c1
InChIInChI=1S/C22H22N2O5/c1-27-17-6-5-14-9-16(4-3-15(14)10-17)21-13-24(7-8-29-21)22(26)18-11-19(25)20(28-2)12-23-18/h3-6,9-12,21H,7-8,13H2,1-2H3,(H,23,25)
InChIKeyQBQRHIWRLVOTHI-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.76
Rot. Bonds4

About 5-methoxy-2-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1H-pyridin-4-one

5-methoxy-2-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1H-pyridin-4-one (PubChem CID 56860999) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-methoxy-2-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name5-methoxy-2-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1H-pyridin-4-one
PubChem CID56860999
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name5-methoxy-2-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1H-pyridin-4-one
SMILESCOc1ccc2cc(C3CN(C(=O)c4cc(=O)c(OC)c[nH]4)CCO3)ccc2c1
InChIInChI=1S/C22H22N2O5/c1-27-17-6-5-14-9-16(4-3-15(14)10-17)21-13-24(7-8-29-21)22(26)18-11-19(25)20(28-2)12-23-18/h3-6,9-12,21H,7-8,13H2,1-2H3,(H,23,25)
InChIKeyQBQRHIWRLVOTHI-UHFFFAOYSA-N
XLogP2.76
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1H-pyridin-4-one?
The IUPAC name of 5-methoxy-2-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1H-pyridin-4-one (CID 56860999) is 5-methoxy-2-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for 5-methoxy-2-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for 5-methoxy-2-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1H-pyridin-4-one is COc1ccc2cc(C3CN(C(=O)c4cc(=O)c(OC)c[nH]4)CCO3)ccc2c1.
What is the InChIKey of 5-methoxy-2-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1H-pyridin-4-one?
The InChIKey is QBQRHIWRLVOTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-27-17-6-5-14-9-16(4-3-15(14)10-17)21-13-24(7-8-29-21)22(26)18-11-19(25)20(28-2)12-23-18/h3-6,9-12,21H,7-8,13H2,1-2H3,(H,23,25).
What are the key properties of 5-methoxy-2-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1H-pyridin-4-one?
5-methoxy-2-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1H-pyridin-4-one has a molecular weight of 394.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 56860999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).