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

C25H24N4O4 — CID 67552788

IUPAC6-ethoxy-2-ethyl-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid
SMILESCCOc1cc2c(Nc3ccc(Oc4ccccn4)cc3)c(C(=O)O)c(CC)nc2nc1C
InChIInChI=1S/C25H24N4O4/c1-4-19-22(25(30)31)23(18-14-20(32-5-2)15(3)27-24(18)29-19)28-16-9-11-17(12-10-16)33-21-8-6-7-13-26-21/h6-14H,4-5H2,1-3H3,(H,30,31)(H,27,28,29)
InChIKeySBVQIXUVPRRPDU-UHFFFAOYSA-N
MW444.49 g/mol
LogP5.53
Rot. Bonds8

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

6-ethoxy-2-ethyl-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 67552788) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 6-ethoxy-2-ethyl-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethoxy-2-ethyl-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid
PubChem CID67552788
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name6-ethoxy-2-ethyl-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid
SMILESCCOc1cc2c(Nc3ccc(Oc4ccccn4)cc3)c(C(=O)O)c(CC)nc2nc1C
InChIInChI=1S/C25H24N4O4/c1-4-19-22(25(30)31)23(18-14-20(32-5-2)15(3)27-24(18)29-19)28-16-9-11-17(12-10-16)33-21-8-6-7-13-26-21/h6-14H,4-5H2,1-3H3,(H,30,31)(H,27,28,29)
InChIKeySBVQIXUVPRRPDU-UHFFFAOYSA-N
XLogP5.53
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-ethyl-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-ethoxy-2-ethyl-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid (CID 67552788) is 6-ethoxy-2-ethyl-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-ethoxy-2-ethyl-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-ethoxy-2-ethyl-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid is CCOc1cc2c(Nc3ccc(Oc4ccccn4)cc3)c(C(=O)O)c(CC)nc2nc1C.
What is the InChIKey of 6-ethoxy-2-ethyl-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is SBVQIXUVPRRPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-4-19-22(25(30)31)23(18-14-20(32-5-2)15(3)27-24(18)29-19)28-16-9-11-17(12-10-16)33-21-8-6-7-13-26-21/h6-14H,4-5H2,1-3H3,(H,30,31)(H,27,28,29).
What are the key properties of 6-ethoxy-2-ethyl-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid?
6-ethoxy-2-ethyl-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 444.49 g/mol, XLogP of 5.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-ethyl-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 67552788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).