methyl 4-(6-cyclohexyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoate

C20H24N2O5 — CID 67408283

IUPACmethyl 4-(6-cyclohexyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)c1c(O)c2cc(C3CCCCC3)cnc2n(C)c1=O
InChIInChI=1S/C20H24N2O5/c1-22-19-14(10-13(11-21-19)12-6-4-3-5-7-12)18(25)17(20(22)26)15(23)8-9-16(24)27-2/h10-12,25H,3-9H2,1-2H3
InChIKeyARDJZKYYANCRLT-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.82
Rot. Bonds5

About methyl 4-(6-cyclohexyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoate

methyl 4-(6-cyclohexyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoate (PubChem CID 67408283) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl 4-(6-cyclohexyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-(6-cyclohexyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoate
PubChem CID67408283
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Namemethyl 4-(6-cyclohexyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)c1c(O)c2cc(C3CCCCC3)cnc2n(C)c1=O
InChIInChI=1S/C20H24N2O5/c1-22-19-14(10-13(11-21-19)12-6-4-3-5-7-12)18(25)17(20(22)26)15(23)8-9-16(24)27-2/h10-12,25H,3-9H2,1-2H3
InChIKeyARDJZKYYANCRLT-UHFFFAOYSA-N
XLogP2.82
TPSA98.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-(6-cyclohexyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-cyclohexyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoate?
The IUPAC name of methyl 4-(6-cyclohexyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoate (CID 67408283) is methyl 4-(6-cyclohexyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoate.
What is the SMILES notation for methyl 4-(6-cyclohexyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoate?
The canonical SMILES for methyl 4-(6-cyclohexyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoate is COC(=O)CCC(=O)c1c(O)c2cc(C3CCCCC3)cnc2n(C)c1=O.
What is the InChIKey of methyl 4-(6-cyclohexyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoate?
The InChIKey is ARDJZKYYANCRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-22-19-14(10-13(11-21-19)12-6-4-3-5-7-12)18(25)17(20(22)26)15(23)8-9-16(24)27-2/h10-12,25H,3-9H2,1-2H3.
What are the key properties of methyl 4-(6-cyclohexyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoate?
methyl 4-(6-cyclohexyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoate has a molecular weight of 372.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-cyclohexyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoate is sourced from PubChem (CID 67408283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).