4-(4-carboxy-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid

C21H22N2O6 — CID 175675514

IUPAC4-(4-carboxy-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
SMILESCCOc1ncc(C)c2c1C(c1ccc(C(=O)O)cc1OC)C(C(=O)O)=C(C)N2
InChIInChI=1S/C21H22N2O6/c1-5-29-19-17-16(13-7-6-12(20(24)25)8-14(13)28-4)15(21(26)27)11(3)23-18(17)10(2)9-22-19/h6-9,16,23H,5H2,1-4H3,(H,24,25)(H,26,27)
InChIKeyMFSJUURFHGIXGI-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.41
Rot. Bonds6

About 4-(4-carboxy-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid

4-(4-carboxy-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid (PubChem CID 175675514) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is 4-(4-carboxy-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-carboxy-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
PubChem CID175675514
Molecular FormulaC21H22N2O6
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC Name4-(4-carboxy-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
SMILESCCOc1ncc(C)c2c1C(c1ccc(C(=O)O)cc1OC)C(C(=O)O)=C(C)N2
InChIInChI=1S/C21H22N2O6/c1-5-29-19-17-16(13-7-6-12(20(24)25)8-14(13)28-4)15(21(26)27)11(3)23-18(17)10(2)9-22-19/h6-9,16,23H,5H2,1-4H3,(H,24,25)(H,26,27)
InChIKeyMFSJUURFHGIXGI-UHFFFAOYSA-N
XLogP3.41
TPSA117.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carboxy-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-(4-carboxy-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid (CID 175675514) is 4-(4-carboxy-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-carboxy-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-carboxy-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid is CCOc1ncc(C)c2c1C(c1ccc(C(=O)O)cc1OC)C(C(=O)O)=C(C)N2.
What is the InChIKey of 4-(4-carboxy-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is MFSJUURFHGIXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6/c1-5-29-19-17-16(13-7-6-12(20(24)25)8-14(13)28-4)15(21(26)27)11(3)23-18(17)10(2)9-22-19/h6-9,16,23H,5H2,1-4H3,(H,24,25)(H,26,27).
What are the key properties of 4-(4-carboxy-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid?
4-(4-carboxy-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 398.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carboxy-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 175675514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).