5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid

C21H26N2O4 — CID 145007776

IUPAC5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid
SMILESCCOC1NC=C(C)C2=C1C(c1ccc(C)cc1OC)C(C(=O)O)=C(C)N2
InChIInChI=1S/C21H26N2O4/c1-6-27-20-18-17(14-8-7-11(2)9-15(14)26-5)16(21(24)25)13(4)23-19(18)12(3)10-22-20/h7-10,17,20,22-23H,6H2,1-5H3,(H,24,25)
InChIKeyAATRXONHHJOTPF-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.17
Rot. Bonds5

About 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid

5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid (PubChem CID 145007776) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid
PubChem CID145007776
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid
SMILESCCOC1NC=C(C)C2=C1C(c1ccc(C)cc1OC)C(C(=O)O)=C(C)N2
InChIInChI=1S/C21H26N2O4/c1-6-27-20-18-17(14-8-7-11(2)9-15(14)26-5)16(21(24)25)13(4)23-19(18)12(3)10-22-20/h7-10,17,20,22-23H,6H2,1-5H3,(H,24,25)
InChIKeyAATRXONHHJOTPF-UHFFFAOYSA-N
XLogP3.17
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid with MolForge

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Related Compounds

2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
CID 152831744
(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxamide
CID 170687340
2-cyanoethyl 4-(4-amino-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
CID 146642322
2-aminoethyl 5-hydroxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
CID 162238995
4-(4-carboxy-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
CID 175675514
ethane;methane;propyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 145007763
4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
CID 59349645
4-(4-cyano-2-methoxyphenyl)-5-ethoxy-8-methyl-2-(113C)methyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
CID 169436770
ethyl (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 675136
(4S)-5-ethoxy-4-(2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
CID 169246676
ethyl 6-methyl-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2847674
ethyl (4R)-6-methyl-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1016450

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid (CID 145007776) is 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid is CCOC1NC=C(C)C2=C1C(c1ccc(C)cc1OC)C(C(=O)O)=C(C)N2.
What is the InChIKey of 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is AATRXONHHJOTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-6-27-20-18-17(14-8-7-11(2)9-15(14)26-5)16(21(24)25)13(4)23-19(18)12(3)10-22-20/h7-10,17,20,22-23H,6H2,1-5H3,(H,24,25).
What are the key properties of 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid?
5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 145007776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).