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

C19H15N3O2 — CID 135424992

IUPAC3-ethyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
SMILESCCn1c(/C=C2\C(=O)Nc3ccccc32)nc2ccccc2c1=O
InChIInChI=1S/C19H15N3O2/c1-2-22-17(20-16-10-6-4-8-13(16)19(22)24)11-14-12-7-3-5-9-15(12)21-18(14)23/h3-11H,2H2,1H3,(H,21,23)/b14-11-
InChIKeyGDGMROWCQJTDAL-KAMYIIQDSA-N
MW317.35 g/mol
LogP2.91
Rot. Bonds2

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

3-ethyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one (PubChem CID 135424992) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-ethyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
PubChem CID135424992
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name3-ethyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
SMILESCCn1c(/C=C2\C(=O)Nc3ccccc32)nc2ccccc2c1=O
InChIInChI=1S/C19H15N3O2/c1-2-22-17(20-16-10-6-4-8-13(16)19(22)24)11-14-12-7-3-5-9-15(12)21-18(14)23/h3-11H,2H2,1H3,(H,21,23)/b14-11-
InChIKeyGDGMROWCQJTDAL-KAMYIIQDSA-N
XLogP2.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one (CID 135424992) is 3-ethyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one is CCn1c(/C=C2\C(=O)Nc3ccccc32)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one?
The InChIKey is GDGMROWCQJTDAL-KAMYIIQDSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-2-22-17(20-16-10-6-4-8-13(16)19(22)24)11-14-12-7-3-5-9-15(12)21-18(14)23/h3-11H,2H2,1H3,(H,21,23)/b14-11-.
What are the key properties of 3-ethyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one?
3-ethyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one has a molecular weight of 317.35 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one is sourced from PubChem (CID 135424992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).