4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)butanamide

C22H19N5O3 — CID 127253247

IUPAC4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3C12)Nc1ncc[nH]1
InChIInChI=1S/C22H19N5O3/c28-18(25-22-23-11-12-24-22)10-5-13-26-19-14-6-1-2-7-15(14)21(30)27(19)17-9-4-3-8-16(17)20(26)29/h1-4,6-9,11-12,19H,5,10,13H2,(H2,23,24,25,28)
InChIKeyRZNQUVUIABOCTI-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.94
Rot. Bonds5

About 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)butanamide

4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)butanamide (PubChem CID 127253247) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)butanamide
PubChem CID127253247
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3C12)Nc1ncc[nH]1
InChIInChI=1S/C22H19N5O3/c28-18(25-22-23-11-12-24-22)10-5-13-26-19-14-6-1-2-7-15(14)21(30)27(19)17-9-4-3-8-16(17)20(26)29/h1-4,6-9,11-12,19H,5,10,13H2,(H2,23,24,25,28)
InChIKeyRZNQUVUIABOCTI-UHFFFAOYSA-N
XLogP2.94
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)butanamide?
The IUPAC name of 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)butanamide (CID 127253247) is 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)butanamide.
What is the SMILES notation for 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)butanamide?
The canonical SMILES for 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)butanamide is O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3C12)Nc1ncc[nH]1.
What is the InChIKey of 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)butanamide?
The InChIKey is RZNQUVUIABOCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c28-18(25-22-23-11-12-24-22)10-5-13-26-19-14-6-1-2-7-15(14)21(30)27(19)17-9-4-3-8-16(17)20(26)29/h1-4,6-9,11-12,19H,5,10,13H2,(H2,23,24,25,28).
What are the key properties of 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)butanamide?
4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)butanamide has a molecular weight of 401.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)butanamide is sourced from PubChem (CID 127253247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).