4-[2-(4-hydroxy-6-imino-1,3-dimethyl-2-oxo-1,3-diazinan-5-ylidene)hydrazinyl]-2-(2-methylpropyl)isoindole-1,3-dione

C18H22N6O4 — CID 70843126

IUPAC4-[2-(4-hydroxy-6-imino-1,3-dimethyl-2-oxo-1,3-diazinan-5-ylidene)hydrazinyl]-2-(2-methylpropyl)isoindole-1,3-dione
SMILES[H]/N=C1/C(=NNc2cccc3c2C(=O)N(CC(C)C)C3=O)C(O)N(C)C(=O)N1C
InChIInChI=1S/C18H22N6O4/c1-9(2)8-24-15(25)10-6-5-7-11(12(10)16(24)26)20-21-13-14(19)22(3)18(28)23(4)17(13)27/h5-7,9,17,19-20,27H,8H2,1-4H3/b19-14-,21-13?
InChIKeyQKTRFVAQHZOMIB-RLSWGJSTSA-N
MW386.41 g/mol
LogP1.00
Rot. Bonds4

About 4-[2-(4-hydroxy-6-imino-1,3-dimethyl-2-oxo-1,3-diazinan-5-ylidene)hydrazinyl]-2-(2-methylpropyl)isoindole-1,3-dione

4-[2-(4-hydroxy-6-imino-1,3-dimethyl-2-oxo-1,3-diazinan-5-ylidene)hydrazinyl]-2-(2-methylpropyl)isoindole-1,3-dione (PubChem CID 70843126) has the molecular formula C18H22N6O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-6-imino-1,3-dimethyl-2-oxo-1,3-diazinan-5-ylidene)hydrazinyl]-2-(2-methylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[2-(4-hydroxy-6-imino-1,3-dimethyl-2-oxo-1,3-diazinan-5-ylidene)hydrazinyl]-2-(2-methylpropyl)isoindole-1,3-dione
PubChem CID70843126
Molecular FormulaC18H22N6O4
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name4-[2-(4-hydroxy-6-imino-1,3-dimethyl-2-oxo-1,3-diazinan-5-ylidene)hydrazinyl]-2-(2-methylpropyl)isoindole-1,3-dione
SMILES[H]/N=C1/C(=NNc2cccc3c2C(=O)N(CC(C)C)C3=O)C(O)N(C)C(=O)N1C
InChIInChI=1S/C18H22N6O4/c1-9(2)8-24-15(25)10-6-5-7-11(12(10)16(24)26)20-21-13-14(19)22(3)18(28)23(4)17(13)27/h5-7,9,17,19-20,27H,8H2,1-4H3/b19-14-,21-13?
InChIKeyQKTRFVAQHZOMIB-RLSWGJSTSA-N
XLogP1.00
TPSA129.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 4-[2-(4-hydroxy-6-imino-1,3-dimethyl-2-oxo-1,3-diazinan-5-ylidene)hydrazinyl]-2-(2-methylpropyl)isoindole-1,3-dione?
The IUPAC name of 4-[2-(4-hydroxy-6-imino-1,3-dimethyl-2-oxo-1,3-diazinan-5-ylidene)hydrazinyl]-2-(2-methylpropyl)isoindole-1,3-dione (CID 70843126) is 4-[2-(4-hydroxy-6-imino-1,3-dimethyl-2-oxo-1,3-diazinan-5-ylidene)hydrazinyl]-2-(2-methylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[2-(4-hydroxy-6-imino-1,3-dimethyl-2-oxo-1,3-diazinan-5-ylidene)hydrazinyl]-2-(2-methylpropyl)isoindole-1,3-dione?
The canonical SMILES for 4-[2-(4-hydroxy-6-imino-1,3-dimethyl-2-oxo-1,3-diazinan-5-ylidene)hydrazinyl]-2-(2-methylpropyl)isoindole-1,3-dione is [H]/N=C1/C(=NNc2cccc3c2C(=O)N(CC(C)C)C3=O)C(O)N(C)C(=O)N1C.
What is the InChIKey of 4-[2-(4-hydroxy-6-imino-1,3-dimethyl-2-oxo-1,3-diazinan-5-ylidene)hydrazinyl]-2-(2-methylpropyl)isoindole-1,3-dione?
The InChIKey is QKTRFVAQHZOMIB-RLSWGJSTSA-N. The full InChI is InChI=1S/C18H22N6O4/c1-9(2)8-24-15(25)10-6-5-7-11(12(10)16(24)26)20-21-13-14(19)22(3)18(28)23(4)17(13)27/h5-7,9,17,19-20,27H,8H2,1-4H3/b19-14-,21-13?.
What are the key properties of 4-[2-(4-hydroxy-6-imino-1,3-dimethyl-2-oxo-1,3-diazinan-5-ylidene)hydrazinyl]-2-(2-methylpropyl)isoindole-1,3-dione?
4-[2-(4-hydroxy-6-imino-1,3-dimethyl-2-oxo-1,3-diazinan-5-ylidene)hydrazinyl]-2-(2-methylpropyl)isoindole-1,3-dione has a molecular weight of 386.41 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-6-imino-1,3-dimethyl-2-oxo-1,3-diazinan-5-ylidene)hydrazinyl]-2-(2-methylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 70843126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).