7-amino-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid

About 7-amino-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid

7-amino-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid (PubChem CID 20567403) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 7-amino-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid.

Molecular Properties

Compound Name	7-amino-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid
PubChem CID	20567403
Molecular Formula	C16H16N2O3
Molecular Weight	284.31 g/mol
Exact Mass	284.12
IUPAC Name	7-amino-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid
SMILES	Nc1cc2c3c(c1)c(=O)c(C(=O)O)cn3C1CCCCC21
InChI	InChI=1S/C16H16N2O3/c17-8-5-10-9-3-1-2-4-13(9)18-7-12(16(20)21)15(19)11(6-8)14(10)18/h5-7,9,13H,1-4,17H2,(H,20,21)
InChIKey	RUHBJKWSIZFRSC-UHFFFAOYSA-N
XLogP	2.49
TPSA	85.32 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	1
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.31
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aniline', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid?

The IUPAC name of 7-amino-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid (CID 20567403) is 7-amino-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid.

What is the SMILES notation for 7-amino-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid?

The canonical SMILES for 7-amino-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid is Nc1cc2c3c(c1)c(=O)c(C(=O)O)cn3C1CCCCC21.

What is the InChIKey of 7-amino-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid?

The InChIKey is RUHBJKWSIZFRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c17-8-5-10-9-3-1-2-4-13(9)18-7-12(16(20)21)15(19)11(6-8)14(10)18/h5-7,9,13H,1-4,17H2,(H,20,21).

What are the key properties of 7-amino-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid?

7-amino-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylic acid is sourced from PubChem (CID 20567403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).