3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-phenylquinazolin-4-one

C22H14N4O2 — CID 135481585

IUPAC3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-phenylquinazolin-4-one
SMILESO=C1Nc2ccccc2/C1=N/n1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C22H14N4O2/c27-21-19(15-10-4-6-12-17(15)24-21)25-26-20(14-8-2-1-3-9-14)23-18-13-7-5-11-16(18)22(26)28/h1-13H,(H,24,25,27)
InChIKeyPMNVVJURWZYHAY-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.27
Rot. Bonds2

About 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-phenylquinazolin-4-one

3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-phenylquinazolin-4-one (PubChem CID 135481585) has the molecular formula C22H14N4O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-phenylquinazolin-4-one
PubChem CID135481585
Molecular FormulaC22H14N4O2
Molecular Weight366.38 g/mol
Exact Mass366.11
IUPAC Name3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-phenylquinazolin-4-one
SMILESO=C1Nc2ccccc2/C1=N/n1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C22H14N4O2/c27-21-19(15-10-4-6-12-17(15)24-21)25-26-20(14-8-2-1-3-9-14)23-18-13-7-5-11-16(18)22(26)28/h1-13H,(H,24,25,27)
InChIKeyPMNVVJURWZYHAY-UHFFFAOYSA-N
XLogP3.27
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-phenylquinazolin-4-one (CID 135481585) is 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-phenylquinazolin-4-one is O=C1Nc2ccccc2/C1=N/n1c(-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-phenylquinazolin-4-one?
The InChIKey is PMNVVJURWZYHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2/c27-21-19(15-10-4-6-12-17(15)24-21)25-26-20(14-8-2-1-3-9-14)23-18-13-7-5-11-16(18)22(26)28/h1-13H,(H,24,25,27).
What are the key properties of 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-phenylquinazolin-4-one?
3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-phenylquinazolin-4-one has a molecular weight of 366.38 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-phenylquinazolin-4-one is sourced from PubChem (CID 135481585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).