2-(1,3-dioxoisoindol-2-yl)-N'-quinazolin-4-ylpropanehydrazide

C19H15N5O3 — CID 119040707

IUPAC2-(1,3-dioxoisoindol-2-yl)-N'-quinazolin-4-ylpropanehydrazide
SMILESCC(C(=O)NNc1ncnc2ccccc12)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H15N5O3/c1-11(24-18(26)12-6-2-3-7-13(12)19(24)27)17(25)23-22-16-14-8-4-5-9-15(14)20-10-21-16/h2-11H,1H3,(H,23,25)(H,20,21,22)
InChIKeyQJELMRAVEXUCJU-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.76
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N'-quinazolin-4-ylpropanehydrazide

2-(1,3-dioxoisoindol-2-yl)-N'-quinazolin-4-ylpropanehydrazide (PubChem CID 119040707) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N'-quinazolin-4-ylpropanehydrazide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N'-quinazolin-4-ylpropanehydrazide
PubChem CID119040707
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N'-quinazolin-4-ylpropanehydrazide
SMILESCC(C(=O)NNc1ncnc2ccccc12)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H15N5O3/c1-11(24-18(26)12-6-2-3-7-13(12)19(24)27)17(25)23-22-16-14-8-4-5-9-15(14)20-10-21-16/h2-11H,1H3,(H,23,25)(H,20,21,22)
InChIKeyQJELMRAVEXUCJU-UHFFFAOYSA-N
XLogP1.76
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N'-quinazolin-4-ylpropanehydrazide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N'-quinazolin-4-ylpropanehydrazide (CID 119040707) is 2-(1,3-dioxoisoindol-2-yl)-N'-quinazolin-4-ylpropanehydrazide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N'-quinazolin-4-ylpropanehydrazide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N'-quinazolin-4-ylpropanehydrazide is CC(C(=O)NNc1ncnc2ccccc12)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N'-quinazolin-4-ylpropanehydrazide?
The InChIKey is QJELMRAVEXUCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-11(24-18(26)12-6-2-3-7-13(12)19(24)27)17(25)23-22-16-14-8-4-5-9-15(14)20-10-21-16/h2-11H,1H3,(H,23,25)(H,20,21,22).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N'-quinazolin-4-ylpropanehydrazide?
2-(1,3-dioxoisoindol-2-yl)-N'-quinazolin-4-ylpropanehydrazide has a molecular weight of 361.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N'-quinazolin-4-ylpropanehydrazide is sourced from PubChem (CID 119040707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).