2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one

C19H15N3O2 — CID 135489955

IUPAC2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one
SMILESCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)[nH]2)c2ccccc21
InChIInChI=1S/C19H15N3O2/c1-2-22-16-10-6-4-7-12(16)14(19(22)24)11-17-20-15-9-5-3-8-13(15)18(23)21-17/h3-11H,2H2,1H3,(H,20,21,23)/b14-11+
InChIKeyLIHBZLKDKCPNSM-SDNWHVSQSA-N
MW317.35 g/mol
LogP2.83
Rot. Bonds2

About 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one

2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one (PubChem CID 135489955) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one
PubChem CID135489955
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one
SMILESCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)[nH]2)c2ccccc21
InChIInChI=1S/C19H15N3O2/c1-2-22-16-10-6-4-7-12(16)14(19(22)24)11-17-20-15-9-5-3-8-13(15)18(23)21-17/h3-11H,2H2,1H3,(H,20,21,23)/b14-11+
InChIKeyLIHBZLKDKCPNSM-SDNWHVSQSA-N
XLogP2.83
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one
CID 135549507
3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-ethylindol-2-one
CID 91046180
(3Z)-1-ethyl-3-(1H-indol-3-ylmethylidene)indol-2-one
CID 5425458
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]-3-(2-nitrophenyl)quinazolin-4-one
CID 45105395
2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one
CID 2870093
(3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one
CID 58795351
2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one
CID 5143715
3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one
CID 39861690
2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one
CID 135584613
1-ethyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylidene]indol-2-one
CID 951638
3-ethyl-2-[(2-oxo-1-propan-2-ylindol-3-ylidene)methyl]quinazolin-4-one
CID 3732103

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one (CID 135489955) is 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one is CCN1C(=O)/C(=C/c2nc3ccccc3c(=O)[nH]2)c2ccccc21.
What is the InChIKey of 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one?
The InChIKey is LIHBZLKDKCPNSM-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-2-22-16-10-6-4-7-12(16)14(19(22)24)11-17-20-15-9-5-3-8-13(15)18(23)21-17/h3-11H,2H2,1H3,(H,20,21,23)/b14-11+.
What are the key properties of 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one?
2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one has a molecular weight of 317.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135489955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).