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

C22H19FN2O2 — CID 92931335

IUPAC(4Z)-2-ethyl-4-[(3-fluorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCCN1C/C(=C/c2cccc(F)c2)c2nc3ccccc3c(C(=O)O)c2C1
InChIInChI=1S/C22H19FN2O2/c1-2-25-12-15(10-14-6-5-7-16(23)11-14)21-18(13-25)20(22(26)27)17-8-3-4-9-19(17)24-21/h3-11H,2,12-13H2,1H3,(H,26,27)/b15-10-
InChIKeyMPFXSTBXNRRVKA-GDNBJRDFSA-N
MW362.40 g/mol
LogP4.45
Rot. Bonds3

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

(4Z)-2-ethyl-4-[(3-fluorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid (PubChem CID 92931335) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is (4Z)-2-ethyl-4-[(3-fluorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid.

Molecular Properties

Compound Name(4Z)-2-ethyl-4-[(3-fluorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
PubChem CID92931335
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name(4Z)-2-ethyl-4-[(3-fluorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCCN1C/C(=C/c2cccc(F)c2)c2nc3ccccc3c(C(=O)O)c2C1
InChIInChI=1S/C22H19FN2O2/c1-2-25-12-15(10-14-6-5-7-16(23)11-14)21-18(13-25)20(22(26)27)17-8-3-4-9-19(17)24-21/h3-11H,2,12-13H2,1H3,(H,26,27)/b15-10-
InChIKeyMPFXSTBXNRRVKA-GDNBJRDFSA-N
XLogP4.45
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-ethyl-4-[(3-fluorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
The IUPAC name of (4Z)-2-ethyl-4-[(3-fluorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid (CID 92931335) is (4Z)-2-ethyl-4-[(3-fluorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid.
What is the SMILES notation for (4Z)-2-ethyl-4-[(3-fluorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
The canonical SMILES for (4Z)-2-ethyl-4-[(3-fluorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid is CCN1C/C(=C/c2cccc(F)c2)c2nc3ccccc3c(C(=O)O)c2C1.
What is the InChIKey of (4Z)-2-ethyl-4-[(3-fluorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
The InChIKey is MPFXSTBXNRRVKA-GDNBJRDFSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-2-25-12-15(10-14-6-5-7-16(23)11-14)21-18(13-25)20(22(26)27)17-8-3-4-9-19(17)24-21/h3-11H,2,12-13H2,1H3,(H,26,27)/b15-10-.
What are the key properties of (4Z)-2-ethyl-4-[(3-fluorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
(4Z)-2-ethyl-4-[(3-fluorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid has a molecular weight of 362.40 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-ethyl-4-[(3-fluorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid is sourced from PubChem (CID 92931335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).