6-[(2-methoxyphenyl)methylidene]-2-oxo-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-12-carboxylic acid

C20H16N2O4 — CID 56631792

IUPAC6-[(2-methoxyphenyl)methylidene]-2-oxo-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-12-carboxylic acid
SMILESCOc1ccccc1C=C1CCc2c1nc1ccc(C(=O)O)cn1c2=O
InChIInChI=1S/C20H16N2O4/c1-26-16-5-3-2-4-12(16)10-13-6-8-15-18(13)21-17-9-7-14(20(24)25)11-22(17)19(15)23/h2-5,7,9-11H,6,8H2,1H3,(H,24,25)
InChIKeyANLQZIGVAWGAEV-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.89
Rot. Bonds3

About 6-[(2-methoxyphenyl)methylidene]-2-oxo-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-12-carboxylic acid

6-[(2-methoxyphenyl)methylidene]-2-oxo-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-12-carboxylic acid (PubChem CID 56631792) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)methylidene]-2-oxo-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-12-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)methylidene]-2-oxo-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-12-carboxylic acid
PubChem CID56631792
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name6-[(2-methoxyphenyl)methylidene]-2-oxo-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-12-carboxylic acid
SMILESCOc1ccccc1C=C1CCc2c1nc1ccc(C(=O)O)cn1c2=O
InChIInChI=1S/C20H16N2O4/c1-26-16-5-3-2-4-12(16)10-13-6-8-15-18(13)21-17-9-7-14(20(24)25)11-22(17)19(15)23/h2-5,7,9-11H,6,8H2,1H3,(H,24,25)
InChIKeyANLQZIGVAWGAEV-UHFFFAOYSA-N
XLogP2.89
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylate
CID 151991831
4-[(3-ethoxy-2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylic acid
CID 56634449
2-oxo-6-(pyridin-2-ylmethylidene)-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-12-carboxylic acid
CID 54495797
4-[(2,3-dimethoxyphenyl)methylidene]-8-methyl-2,3-dihydro-1H-pyrido[2,1-b]quinazolin-11-one
CID 56607096
6-benzylidene-12-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 54070128
4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 13052286
2-methoxy-1-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 70549091
12-chloro-6-[(3-methoxyphenyl)methylidene]-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 56624646
2-[(E)-2-(2-ethoxy-3-methoxyphenyl)ethenyl]-3-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531135
2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-3-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 13435022
3-ethyl-4-oxo-2-[2-(2-propan-2-yloxyphenyl)ethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 56621074
3-ethyl-4-oxo-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531127

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)methylidene]-2-oxo-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-12-carboxylic acid?
The IUPAC name of 6-[(2-methoxyphenyl)methylidene]-2-oxo-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-12-carboxylic acid (CID 56631792) is 6-[(2-methoxyphenyl)methylidene]-2-oxo-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-12-carboxylic acid.
What is the SMILES notation for 6-[(2-methoxyphenyl)methylidene]-2-oxo-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-12-carboxylic acid?
The canonical SMILES for 6-[(2-methoxyphenyl)methylidene]-2-oxo-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-12-carboxylic acid is COc1ccccc1C=C1CCc2c1nc1ccc(C(=O)O)cn1c2=O.
What is the InChIKey of 6-[(2-methoxyphenyl)methylidene]-2-oxo-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-12-carboxylic acid?
The InChIKey is ANLQZIGVAWGAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-26-16-5-3-2-4-12(16)10-13-6-8-15-18(13)21-17-9-7-14(20(24)25)11-22(17)19(15)23/h2-5,7,9-11H,6,8H2,1H3,(H,24,25).
What are the key properties of 6-[(2-methoxyphenyl)methylidene]-2-oxo-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-12-carboxylic acid?
6-[(2-methoxyphenyl)methylidene]-2-oxo-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-12-carboxylic acid has a molecular weight of 348.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)methylidene]-2-oxo-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-12-carboxylic acid is sourced from PubChem (CID 56631792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).