2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one

C25H19N3O2 — CID 5143715

IUPAC2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one
SMILESCn1c(C=C2C(=O)N(Cc3ccccc3)c3ccccc32)nc2ccccc2c1=O
InChIInChI=1S/C25H19N3O2/c1-27-23(26-21-13-7-5-12-19(21)24(27)29)15-20-18-11-6-8-14-22(18)28(25(20)30)16-17-9-3-2-4-10-17/h2-15H,16H2,1H3
InChIKeyRZFKEINVYAAVQS-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.02
Rot. Bonds3

About 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one

2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one (PubChem CID 5143715) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one
PubChem CID5143715
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one
SMILESCn1c(C=C2C(=O)N(Cc3ccccc3)c3ccccc32)nc2ccccc2c1=O
InChIInChI=1S/C25H19N3O2/c1-27-23(26-21-13-7-5-12-19(21)24(27)29)15-20-18-11-6-8-14-22(18)28(25(20)30)16-17-9-3-2-4-10-17/h2-15H,16H2,1H3
InChIKeyRZFKEINVYAAVQS-UHFFFAOYSA-N
XLogP4.02
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.02
H-Bond Donors ≤ 50
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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Related Compounds

2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one
CID 2870093
2-[(5-bromo-2-oxo-1-propylindol-3-ylidene)methyl]-3-methylquinazolin-4-one
CID 2880226
3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one
CID 39861690
2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-(3-hydroxypropyl)-6-iodoquinazolin-4-one
CID 4250183
2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one
CID 5291469
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
3-ethyl-2-[(2-oxo-1-propan-2-ylindol-3-ylidene)methyl]quinazolin-4-one
CID 3732103
2-(1-benzyl-2-oxoindol-3-ylidene)acetamide
CID 76656051
2-[(E)-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one
CID 135549507
2-[(5-bromo-2-oxo-1-propylindol-3-ylidene)methyl]-3-(2-methylphenyl)quinazolin-4-one
CID 3426388
2-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-3-methylquinazolin-4-one
CID 3398441

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one (CID 5143715) is 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one is Cn1c(C=C2C(=O)N(Cc3ccccc3)c3ccccc32)nc2ccccc2c1=O.
What is the InChIKey of 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one?
The InChIKey is RZFKEINVYAAVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-27-23(26-21-13-7-5-12-19(21)24(27)29)15-20-18-11-6-8-14-22(18)28(25(20)30)16-17-9-3-2-4-10-17/h2-15H,16H2,1H3.
What are the key properties of 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one?
2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one has a molecular weight of 393.45 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 5143715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).