dimethyl 8-hydroxy-3-[(4-methylphenyl)methyl]-1,6-naphthyridine-5,7-dicarboxylate

C20H18N2O5 — CID 142873219

IUPACdimethyl 8-hydroxy-3-[(4-methylphenyl)methyl]-1,6-naphthyridine-5,7-dicarboxylate
SMILESCOC(=O)c1nc(C(=O)OC)c2cc(Cc3ccc(C)cc3)cnc2c1O
InChIInChI=1S/C20H18N2O5/c1-11-4-6-12(7-5-11)8-13-9-14-15(21-10-13)18(23)17(20(25)27-3)22-16(14)19(24)26-2/h4-7,9-10,23H,8H2,1-3H3
InChIKeyNKIOCYAEWHVNNV-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.81
Rot. Bonds4

About dimethyl 8-hydroxy-3-[(4-methylphenyl)methyl]-1,6-naphthyridine-5,7-dicarboxylate

dimethyl 8-hydroxy-3-[(4-methylphenyl)methyl]-1,6-naphthyridine-5,7-dicarboxylate (PubChem CID 142873219) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is dimethyl 8-hydroxy-3-[(4-methylphenyl)methyl]-1,6-naphthyridine-5,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 8-hydroxy-3-[(4-methylphenyl)methyl]-1,6-naphthyridine-5,7-dicarboxylate
PubChem CID142873219
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Namedimethyl 8-hydroxy-3-[(4-methylphenyl)methyl]-1,6-naphthyridine-5,7-dicarboxylate
SMILESCOC(=O)c1nc(C(=O)OC)c2cc(Cc3ccc(C)cc3)cnc2c1O
InChIInChI=1S/C20H18N2O5/c1-11-4-6-12(7-5-11)8-13-9-14-15(21-10-13)18(23)17(20(25)27-3)22-16(14)19(24)26-2/h4-7,9-10,23H,8H2,1-3H3
InChIKeyNKIOCYAEWHVNNV-UHFFFAOYSA-N
XLogP2.81
TPSA98.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze dimethyl 8-hydroxy-3-[(4-methylphenyl)methyl]-1,6-naphthyridine-5,7-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carboxylic acid
CID 135869550
(3-Benzylphenyl)(8-hydroxy-1,6-naphthyridin-7-yl)methanone
CID 471156
8-hydroxy-1,6-Naphthyridine-7-carboxylic acid
CID 20816864
Methyl 3-hydroxyquinoline-4-carboxylate
CID 12554535
Methyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate
CID 86709142
6-(6-Fluoroquinolin-8-YL)-5-methoxypyridine-2-carboxylic acid
CID 91777968
1-Methoxypropan-2-yl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 9976415
1-[3-[(4-Fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridin-7-yl]propan-1-one
CID 10018253
Methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)-1,6-naphthyridine-7-carboxylate
CID 10069837
(1-Acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 10093767
3-(4-Fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid methyl ester
CID 10335671
Methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 10384451

Frequently Asked Questions

What is the IUPAC name of dimethyl 8-hydroxy-3-[(4-methylphenyl)methyl]-1,6-naphthyridine-5,7-dicarboxylate?
The IUPAC name of dimethyl 8-hydroxy-3-[(4-methylphenyl)methyl]-1,6-naphthyridine-5,7-dicarboxylate (CID 142873219) is dimethyl 8-hydroxy-3-[(4-methylphenyl)methyl]-1,6-naphthyridine-5,7-dicarboxylate.
What is the SMILES notation for dimethyl 8-hydroxy-3-[(4-methylphenyl)methyl]-1,6-naphthyridine-5,7-dicarboxylate?
The canonical SMILES for dimethyl 8-hydroxy-3-[(4-methylphenyl)methyl]-1,6-naphthyridine-5,7-dicarboxylate is COC(=O)c1nc(C(=O)OC)c2cc(Cc3ccc(C)cc3)cnc2c1O.
What is the InChIKey of dimethyl 8-hydroxy-3-[(4-methylphenyl)methyl]-1,6-naphthyridine-5,7-dicarboxylate?
The InChIKey is NKIOCYAEWHVNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-11-4-6-12(7-5-11)8-13-9-14-15(21-10-13)18(23)17(20(25)27-3)22-16(14)19(24)26-2/h4-7,9-10,23H,8H2,1-3H3.
What are the key properties of dimethyl 8-hydroxy-3-[(4-methylphenyl)methyl]-1,6-naphthyridine-5,7-dicarboxylate?
dimethyl 8-hydroxy-3-[(4-methylphenyl)methyl]-1,6-naphthyridine-5,7-dicarboxylate has a molecular weight of 366.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 8-hydroxy-3-[(4-methylphenyl)methyl]-1,6-naphthyridine-5,7-dicarboxylate is sourced from PubChem (CID 142873219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).