3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one

C19H16N4O2 — CID 6508433

IUPAC3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one
SMILESCCN1C(=O)/C(=N\n2c(C)nc3ccccc3c2=O)c2ccccc21
InChIInChI=1S/C19H16N4O2/c1-3-22-16-11-7-5-9-14(16)17(19(22)25)21-23-12(2)20-15-10-6-4-8-13(15)18(23)24/h4-11H,3H2,1-2H3/b21-17-
InChIKeyOWQWCBJURLVQPS-FXBPSFAMSA-N
MW332.36 g/mol
LogP2.32
Rot. Bonds2

About 3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one

3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one (PubChem CID 6508433) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one
PubChem CID6508433
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one
SMILESCCN1C(=O)/C(=N\n2c(C)nc3ccccc3c2=O)c2ccccc21
InChIInChI=1S/C19H16N4O2/c1-3-22-16-11-7-5-9-14(16)17(19(22)25)21-23-12(2)20-15-10-6-4-8-13(15)18(23)24/h4-11H,3H2,1-2H3/b21-17-
InChIKeyOWQWCBJURLVQPS-FXBPSFAMSA-N
XLogP2.32
TPSA67.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
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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Related Compounds

6-bromo-3-[(E)-[1-[(dicyclohexylamino)methyl]-2-oxoindol-3-ylidene]amino]-2-methylquinazolin-4-one
CID 25033923
1-ethyl-3-phenyliminoindol-2-one
CID 23936952
ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate
CID 13409713
2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one
CID 6009700
2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 5342228
2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one
CID 135489955
(2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one
CID 137241669
CID 131876705
CID 131876705
6-methoxyiminoindolo[2,1-b]quinazolin-12-one
CID 73349845
2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-(2-nitrophenyl)quinazolin-4-one
CID 45105395
3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one
CID 5423325
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one (CID 6508433) is 3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one is CCN1C(=O)/C(=N\n2c(C)nc3ccccc3c2=O)c2ccccc21.
What is the InChIKey of 3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one?
The InChIKey is OWQWCBJURLVQPS-FXBPSFAMSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-3-22-16-11-7-5-9-14(16)17(19(22)25)21-23-12(2)20-15-10-6-4-8-13(15)18(23)24/h4-11H,3H2,1-2H3/b21-17-.
What are the key properties of 3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one?
3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one has a molecular weight of 332.36 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one is sourced from PubChem (CID 6508433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).