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

C23H22N2O4 — CID 8864440

IUPAC(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCOc1ccc(/C=C2\CN(C)Cc3c2nc2ccccc2c3C(=O)O)c(OC)c1
InChIInChI=1S/C23H22N2O4/c1-25-12-15(10-14-8-9-16(28-2)11-20(14)29-3)22-18(13-25)21(23(26)27)17-6-4-5-7-19(17)24-22/h4-11H,12-13H2,1-3H3,(H,26,27)/b15-10+
InChIKeyFPZBQKDKGCWFOM-XNTDXEJSSA-N
MW390.44 g/mol
LogP3.94
Rot. Bonds4

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

(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid (PubChem CID 8864440) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is (4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid.

Molecular Properties

Compound Name(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
PubChem CID8864440
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCOc1ccc(/C=C2\CN(C)Cc3c2nc2ccccc2c3C(=O)O)c(OC)c1
InChIInChI=1S/C23H22N2O4/c1-25-12-15(10-14-8-9-16(28-2)11-20(14)29-3)22-18(13-25)21(23(26)27)17-6-4-5-7-19(17)24-22/h4-11H,12-13H2,1-3H3,(H,26,27)/b15-10+
InChIKeyFPZBQKDKGCWFOM-XNTDXEJSSA-N
XLogP3.94
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 3958781
(4E)-2-methyl-4-[(4-methylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 8864603
(4E)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 6055200
(2S,4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7984804
(4E)-4-[(2,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6524431
2-benzyl-4-[(4-methoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 5135933
(4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 39885559
2-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 91942254
(4Z)-2-ethyl-4-[(3-methoxy-4-methylsulfanylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 60603794
(4E)-2-ethyl-4-[(2-fluorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 7970745
(4Z)-4-[(5-bromo-2-propoxyphenyl)methylidene]-2-ethyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 6212644
4-[(2-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3533177

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
The IUPAC name of (4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid (CID 8864440) is (4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid.
What is the SMILES notation for (4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
The canonical SMILES for (4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid is COc1ccc(/C=C2\CN(C)Cc3c2nc2ccccc2c3C(=O)O)c(OC)c1.
What is the InChIKey of (4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
The InChIKey is FPZBQKDKGCWFOM-XNTDXEJSSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-25-12-15(10-14-8-9-16(28-2)11-20(14)29-3)22-18(13-25)21(23(26)27)17-6-4-5-7-19(17)24-22/h4-11H,12-13H2,1-3H3,(H,26,27)/b15-10+.
What are the key properties of (4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid has a molecular weight of 390.44 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid is sourced from PubChem (CID 8864440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).