methyl 2-(4-butylphenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate

C20H20N2O3 — CID 174822215

IUPACmethyl 2-(4-butylphenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate
SMILESCCCCc1ccc(-c2ccc3c(O)c(C(=O)OC)ncc3n2)cc1
InChIInChI=1S/C20H20N2O3/c1-3-4-5-13-6-8-14(9-7-13)16-11-10-15-17(22-16)12-21-18(19(15)23)20(24)25-2/h6-12,23H,3-5H2,1-2H3
InChIKeyDMXIYOYMPBADKH-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.13
Rot. Bonds5

About methyl 2-(4-butylphenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate

methyl 2-(4-butylphenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate (PubChem CID 174822215) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 2-(4-butylphenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-butylphenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate
PubChem CID174822215
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Namemethyl 2-(4-butylphenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate
SMILESCCCCc1ccc(-c2ccc3c(O)c(C(=O)OC)ncc3n2)cc1
InChIInChI=1S/C20H20N2O3/c1-3-4-5-13-6-8-14(9-7-13)16-11-10-15-17(22-16)12-21-18(19(15)23)20(24)25-2/h6-12,23H,3-5H2,1-2H3
InChIKeyDMXIYOYMPBADKH-UHFFFAOYSA-N
XLogP4.13
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(4-butylphenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate 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

methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
6-butyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 3996403
3-[4-(5-butyl-2-pyridinyl)phenyl]propanal
CID 19867343
[6-(4-butoxyphenyl)-3-pyridinyl] 4-butylbenzoate
CID 139624232
methyl 6-butyl-4-(methylamino)quinoline-3-carboxylate
CID 102614811
5-(4-butylphenyl)pyrazine-2-carboxylic acid
CID 15919161
6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 5129375
methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate
CID 154791681
2-(4-dodecylphenyl)-5-ethylpyridine
CID 3092180
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
[6-(4-hexoxyphenyl)-3-pyridinyl] 4-butylbenzoate
CID 139624157
2-octyl-4-(5-pentyl-2-pyridinyl)benzoate
CID 19867210

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-butylphenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate?
The IUPAC name of methyl 2-(4-butylphenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate (CID 174822215) is methyl 2-(4-butylphenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(4-butylphenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate?
The canonical SMILES for methyl 2-(4-butylphenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate is CCCCc1ccc(-c2ccc3c(O)c(C(=O)OC)ncc3n2)cc1.
What is the InChIKey of methyl 2-(4-butylphenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate?
The InChIKey is DMXIYOYMPBADKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-4-5-13-6-8-14(9-7-13)16-11-10-15-17(22-16)12-21-18(19(15)23)20(24)25-2/h6-12,23H,3-5H2,1-2H3.
What are the key properties of methyl 2-(4-butylphenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate?
methyl 2-(4-butylphenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-butylphenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate is sourced from PubChem (CID 174822215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).