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

C24H24N2O2 — CID 6520797

IUPAC(4E)-2-ethyl-4-[(4-ethylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCCc1ccc(/C=C2\CN(CC)Cc3c2nc2ccccc2c3C(=O)O)cc1
InChIInChI=1S/C24H24N2O2/c1-3-16-9-11-17(12-10-16)13-18-14-26(4-2)15-20-22(24(27)28)19-7-5-6-8-21(19)25-23(18)20/h5-13H,3-4,14-15H2,1-2H3,(H,27,28)/b18-13+
InChIKeyXGPGJZYXXIXRGK-QGOAFFKASA-N
MW372.47 g/mol
LogP4.87
Rot. Bonds4

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

(4E)-2-ethyl-4-[(4-ethylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid (PubChem CID 6520797) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (4E)-2-ethyl-4-[(4-ethylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid.

Molecular Properties

Compound Name(4E)-2-ethyl-4-[(4-ethylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
PubChem CID6520797
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name(4E)-2-ethyl-4-[(4-ethylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCCc1ccc(/C=C2\CN(CC)Cc3c2nc2ccccc2c3C(=O)O)cc1
InChIInChI=1S/C24H24N2O2/c1-3-16-9-11-17(12-10-16)13-18-14-26(4-2)15-20-22(24(27)28)19-7-5-6-8-21(19)25-23(18)20/h5-13H,3-4,14-15H2,1-2H3,(H,27,28)/b18-13+
InChIKeyXGPGJZYXXIXRGK-QGOAFFKASA-N
XLogP4.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-ethyl-4-[(4-ethylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
The IUPAC name of (4E)-2-ethyl-4-[(4-ethylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid (CID 6520797) is (4E)-2-ethyl-4-[(4-ethylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid.
What is the SMILES notation for (4E)-2-ethyl-4-[(4-ethylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
The canonical SMILES for (4E)-2-ethyl-4-[(4-ethylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid is CCc1ccc(/C=C2\CN(CC)Cc3c2nc2ccccc2c3C(=O)O)cc1.
What is the InChIKey of (4E)-2-ethyl-4-[(4-ethylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
The InChIKey is XGPGJZYXXIXRGK-QGOAFFKASA-N. The full InChI is InChI=1S/C24H24N2O2/c1-3-16-9-11-17(12-10-16)13-18-14-26(4-2)15-20-22(24(27)28)19-7-5-6-8-21(19)25-23(18)20/h5-13H,3-4,14-15H2,1-2H3,(H,27,28)/b18-13+.
What are the key properties of (4E)-2-ethyl-4-[(4-ethylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
(4E)-2-ethyl-4-[(4-ethylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid has a molecular weight of 372.47 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-ethyl-4-[(4-ethylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid is sourced from PubChem (CID 6520797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).