6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid

C23H20N4O4 — CID 23209285

IUPAC6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid
SMILESCCOc1cc2c(Nc3ccc(Oc4ccccn4)cc3)c(C(=O)O)cnc2nc1C
InChIInChI=1S/C23H20N4O4/c1-3-30-19-12-17-21(18(23(28)29)13-25-22(17)26-14(19)2)27-15-7-9-16(10-8-15)31-20-6-4-5-11-24-20/h4-13H,3H2,1-2H3,(H,28,29)(H,25,26,27)
InChIKeyQLIWARQCPNWMBZ-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.97
Rot. Bonds7

About 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid

6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 23209285) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid
PubChem CID23209285
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid
SMILESCCOc1cc2c(Nc3ccc(Oc4ccccn4)cc3)c(C(=O)O)cnc2nc1C
InChIInChI=1S/C23H20N4O4/c1-3-30-19-12-17-21(18(23(28)29)13-25-22(17)26-14(19)2)27-15-7-9-16(10-8-15)31-20-6-4-5-11-24-20/h4-13H,3H2,1-2H3,(H,28,29)(H,25,26,27)
InChIKeyQLIWARQCPNWMBZ-UHFFFAOYSA-N
XLogP4.97
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid (CID 23209285) is 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid is CCOc1cc2c(Nc3ccc(Oc4ccccn4)cc3)c(C(=O)O)cnc2nc1C.
What is the InChIKey of 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is QLIWARQCPNWMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-3-30-19-12-17-21(18(23(28)29)13-25-22(17)26-14(19)2)27-15-7-9-16(10-8-15)31-20-6-4-5-11-24-20/h4-13H,3H2,1-2H3,(H,28,29)(H,25,26,27).
What are the key properties of 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid?
6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 416.44 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 23209285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).