11-[3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanoyl]-N-hydroxy-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide

About 11-[3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanoyl]-N-hydroxy-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide

11-[3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanoyl]-N-hydroxy-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide (PubChem CID 163126171) has the molecular formula C29H27N5O6 and a molecular weight of 541.56 g/mol. Its IUPAC name is 11-[3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanoyl]-N-hydroxy-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide.

Molecular Properties

Compound Name	11-[3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanoyl]-N-hydroxy-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide
PubChem CID	163126171
Molecular Formula	C29H27N5O6
Molecular Weight	541.56 g/mol
Exact Mass	541.20
IUPAC Name	11-[3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanoyl]-N-hydroxy-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide
SMILES	O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3C12)N1CC2CC(C1)c1ccc([NH+]([O-])O)c(=O)n1C2
InChI	InChI=1S/C29H27N5O6/c35-25(30-14-17-13-18(16-30)22-9-10-24(34(39)40)29(38)32(22)15-17)11-12-31-26-19-5-1-2-6-20(19)28(37)33(26)23-8-4-3-7-21(23)27(31)36/h1-10,17-18,26,34,39H,11-16H2
InChIKey	DJQMJHKBVGZCGG-UHFFFAOYSA-N
XLogP	1.40
TPSA	130.66 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.56
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 11-[3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanoyl]-N-hydroxy-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide?

The IUPAC name of 11-[3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanoyl]-N-hydroxy-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide (CID 163126171) is 11-[3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanoyl]-N-hydroxy-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide.

What is the SMILES notation for 11-[3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanoyl]-N-hydroxy-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide?

The canonical SMILES for 11-[3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanoyl]-N-hydroxy-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide is O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3C12)N1CC2CC(C1)c1ccc([NH+]([O-])O)c(=O)n1C2.

What is the InChIKey of 11-[3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanoyl]-N-hydroxy-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide?

The InChIKey is DJQMJHKBVGZCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O6/c35-25(30-14-17-13-18(16-30)22-9-10-24(34(39)40)29(38)32(22)15-17)11-12-31-26-19-5-1-2-6-20(19)28(37)33(26)23-8-4-3-7-21(23)27(31)36/h1-10,17-18,26,34,39H,11-16H2.

What are the key properties of 11-[3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanoyl]-N-hydroxy-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide?

11-[3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanoyl]-N-hydroxy-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide has a molecular weight of 541.56 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanoyl]-N-hydroxy-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide is sourced from PubChem (CID 163126171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).