2-ethyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid

C25H26N2O5 — CID 3958781

IUPAC2-ethyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCCN1CC(=Cc2cc(OC)c(OC)cc2OC)c2nc3ccccc3c(C(=O)O)c2C1
InChIInChI=1S/C25H26N2O5/c1-5-27-13-16(10-15-11-21(31-3)22(32-4)12-20(15)30-2)24-18(14-27)23(25(28)29)17-8-6-7-9-19(17)26-24/h6-12H,5,13-14H2,1-4H3,(H,28,29)
InChIKeyCDTZAOQTZGSMCH-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.33
Rot. Bonds6

About 2-ethyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid

2-ethyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid (PubChem CID 3958781) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is 2-ethyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
PubChem CID3958781
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name2-ethyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCCN1CC(=Cc2cc(OC)c(OC)cc2OC)c2nc3ccccc3c(C(=O)O)c2C1
InChIInChI=1S/C25H26N2O5/c1-5-27-13-16(10-15-11-21(31-3)22(32-4)12-20(15)30-2)24-18(14-27)23(25(28)29)17-8-6-7-9-19(17)26-24/h6-12H,5,13-14H2,1-4H3,(H,28,29)
InChIKeyCDTZAOQTZGSMCH-UHFFFAOYSA-N
XLogP4.33
TPSA81.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
The IUPAC name of 2-ethyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid (CID 3958781) is 2-ethyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
The canonical SMILES for 2-ethyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid is CCN1CC(=Cc2cc(OC)c(OC)cc2OC)c2nc3ccccc3c(C(=O)O)c2C1.
What is the InChIKey of 2-ethyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
The InChIKey is CDTZAOQTZGSMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-5-27-13-16(10-15-11-21(31-3)22(32-4)12-20(15)30-2)24-18(14-27)23(25(28)29)17-8-6-7-9-19(17)26-24/h6-12H,5,13-14H2,1-4H3,(H,28,29).
What are the key properties of 2-ethyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
2-ethyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid has a molecular weight of 434.49 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid is sourced from PubChem (CID 3958781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).