9-hydroxy-N-(3-morpholin-4-ylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

About 9-hydroxy-N-(3-morpholin-4-ylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

9-hydroxy-N-(3-morpholin-4-ylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (PubChem CID 54676009) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 9-hydroxy-N-(3-morpholin-4-ylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.

Molecular Properties

Compound Name	9-hydroxy-N-(3-morpholin-4-ylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
PubChem CID	54676009
Molecular Formula	C19H23N3O4
Molecular Weight	357.41 g/mol
Exact Mass	357.17
IUPAC Name	9-hydroxy-N-(3-morpholin-4-ylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
SMILES	O=C(NCCCN1CCOCC1)c1c(O)c2cccc3c2n(c1=O)CC3
InChI	InChI=1S/C19H23N3O4/c23-17-14-4-1-3-13-5-8-22(16(13)14)19(25)15(17)18(24)20-6-2-7-21-9-11-26-12-10-21/h1,3-4,23H,2,5-12H2,(H,20,24)
InChIKey	MNQBFXNKBNAOEH-UHFFFAOYSA-N
XLogP	0.72
TPSA	83.80 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.41
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-N-(3-morpholin-4-ylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?

The IUPAC name of 9-hydroxy-N-(3-morpholin-4-ylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (CID 54676009) is 9-hydroxy-N-(3-morpholin-4-ylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.

What is the SMILES notation for 9-hydroxy-N-(3-morpholin-4-ylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?

The canonical SMILES for 9-hydroxy-N-(3-morpholin-4-ylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is O=C(NCCCN1CCOCC1)c1c(O)c2cccc3c2n(c1=O)CC3.

What is the InChIKey of 9-hydroxy-N-(3-morpholin-4-ylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?

The InChIKey is MNQBFXNKBNAOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-17-14-4-1-3-13-5-8-22(16(13)14)19(25)15(17)18(24)20-6-2-7-21-9-11-26-12-10-21/h1,3-4,23H,2,5-12H2,(H,20,24).

What are the key properties of 9-hydroxy-N-(3-morpholin-4-ylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?

9-hydroxy-N-(3-morpholin-4-ylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-hydroxy-N-(3-morpholin-4-ylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is sourced from PubChem (CID 54676009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).