5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one

C22H24N2O4 — CID 95402328

IUPAC5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one
SMILESCOc1ccc2cc([C@H]3CN(Cc4cc(=O)c(OC)c[nH]4)CCO3)ccc2c1
InChIInChI=1S/C22H24N2O4/c1-26-19-6-5-15-9-17(4-3-16(15)10-19)22-14-24(7-8-28-22)13-18-11-20(25)21(27-2)12-23-18/h3-6,9-12,22H,7-8,13-14H2,1-2H3,(H,23,25)/t22-/m1/s1
InChIKeyKEGFPBIZLMBACP-JOCHJYFZSA-N
MW380.44 g/mol
LogP3.12
Rot. Bonds5

About 5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one

5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one (PubChem CID 95402328) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one
PubChem CID95402328
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one
SMILESCOc1ccc2cc([C@H]3CN(Cc4cc(=O)c(OC)c[nH]4)CCO3)ccc2c1
InChIInChI=1S/C22H24N2O4/c1-26-19-6-5-15-9-17(4-3-16(15)10-19)22-14-24(7-8-28-22)13-18-11-20(25)21(27-2)12-23-18/h3-6,9-12,22H,7-8,13-14H2,1-2H3,(H,23,25)/t22-/m1/s1
InChIKeyKEGFPBIZLMBACP-JOCHJYFZSA-N
XLogP3.12
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one?
The IUPAC name of 5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one (CID 95402328) is 5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one.
What is the SMILES notation for 5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one?
The canonical SMILES for 5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one is COc1ccc2cc([C@H]3CN(Cc4cc(=O)c(OC)c[nH]4)CCO3)ccc2c1.
What is the InChIKey of 5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one?
The InChIKey is KEGFPBIZLMBACP-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-26-19-6-5-15-9-17(4-3-16(15)10-19)22-14-24(7-8-28-22)13-18-11-20(25)21(27-2)12-23-18/h3-6,9-12,22H,7-8,13-14H2,1-2H3,(H,23,25)/t22-/m1/s1.
What are the key properties of 5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one?
5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one has a molecular weight of 380.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one is sourced from PubChem (CID 95402328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).