2-methyl-3-[(E)-(2-oxo-1H-indol-3-ylidene)amino]quinazolin-4-one

C17H12N4O2 — CID 135493740

IUPAC2-methyl-3-[(E)-(2-oxo-1H-indol-3-ylidene)amino]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C17H12N4O2/c1-10-18-14-9-5-3-7-12(14)17(23)21(10)20-15-11-6-2-4-8-13(11)19-16(15)22/h2-9H,1H3,(H,19,20,22)
InChIKeyVPROGILPUOAAJE-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.91
Rot. Bonds1

About 2-methyl-3-[(E)-(2-oxo-1H-indol-3-ylidene)amino]quinazolin-4-one

2-methyl-3-[(E)-(2-oxo-1H-indol-3-ylidene)amino]quinazolin-4-one (PubChem CID 135493740) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-methyl-3-[(E)-(2-oxo-1H-indol-3-ylidene)amino]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(E)-(2-oxo-1H-indol-3-ylidene)amino]quinazolin-4-one
PubChem CID135493740
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name2-methyl-3-[(E)-(2-oxo-1H-indol-3-ylidene)amino]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C17H12N4O2/c1-10-18-14-9-5-3-7-12(14)17(23)21(10)20-15-11-6-2-4-8-13(11)19-16(15)22/h2-9H,1H3,(H,19,20,22)
InChIKeyVPROGILPUOAAJE-UHFFFAOYSA-N
XLogP1.91
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.91
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 2-methyl-3-[(E)-(2-oxo-1H-indol-3-ylidene)amino]quinazolin-4-one?
The IUPAC name of 2-methyl-3-[(E)-(2-oxo-1H-indol-3-ylidene)amino]quinazolin-4-one (CID 135493740) is 2-methyl-3-[(E)-(2-oxo-1H-indol-3-ylidene)amino]quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-[(E)-(2-oxo-1H-indol-3-ylidene)amino]quinazolin-4-one?
The canonical SMILES for 2-methyl-3-[(E)-(2-oxo-1H-indol-3-ylidene)amino]quinazolin-4-one is Cc1nc2ccccc2c(=O)n1/N=C1/C(=O)Nc2ccccc21.
What is the InChIKey of 2-methyl-3-[(E)-(2-oxo-1H-indol-3-ylidene)amino]quinazolin-4-one?
The InChIKey is VPROGILPUOAAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c1-10-18-14-9-5-3-7-12(14)17(23)21(10)20-15-11-6-2-4-8-13(11)19-16(15)22/h2-9H,1H3,(H,19,20,22).
What are the key properties of 2-methyl-3-[(E)-(2-oxo-1H-indol-3-ylidene)amino]quinazolin-4-one?
2-methyl-3-[(E)-(2-oxo-1H-indol-3-ylidene)amino]quinazolin-4-one has a molecular weight of 304.31 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(E)-(2-oxo-1H-indol-3-ylidene)amino]quinazolin-4-one is sourced from PubChem (CID 135493740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).