3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one

C27H23N3O3 — CID 39861690

IUPAC3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one
SMILESCCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2-c2ccccc2OC)c2ccccc21
InChIInChI=1S/C27H23N3O3/c1-3-16-29-22-13-7-5-10-18(22)20(26(29)31)17-25-28-21-12-6-4-11-19(21)27(32)30(25)23-14-8-9-15-24(23)33-2/h4-15,17H,3,16H2,1-2H3/b20-17+
InChIKeyNRAJQZOTJHYXBD-LVZFUZTISA-N
MW437.50 g/mol
LogP4.69
Rot. Bonds5

About 3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one

3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one (PubChem CID 39861690) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one
PubChem CID39861690
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one
SMILESCCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2-c2ccccc2OC)c2ccccc21
InChIInChI=1S/C27H23N3O3/c1-3-16-29-22-13-7-5-10-18(22)20(26(29)31)17-25-28-21-12-6-4-11-19(21)27(32)30(25)23-14-8-9-15-24(23)33-2/h4-15,17H,3,16H2,1-2H3/b20-17+
InChIKeyNRAJQZOTJHYXBD-LVZFUZTISA-N
XLogP4.69
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-(5-bromo-1-methyl-2-oxoindol-3-ylidene)methyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 39861694
2-[(5-bromo-2-oxo-1-propylindol-3-ylidene)methyl]-3-(2-methylphenyl)quinazolin-4-one
CID 3426388
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-methylquinazolin-4-one
CID 5143715
2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 5342228
2-[(5-bromo-2-oxo-1-propylindol-3-ylidene)methyl]-3-(4-methylphenyl)quinazolin-4-one
CID 3125319
2-[(5-bromo-2-oxo-1-propylindol-3-ylidene)methyl]-3-methylquinazolin-4-one
CID 2880226
2-[4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]isoindole-1,3-dione
CID 143618036
2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one
CID 2870093
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7334797
2-[(Z)-(5-bromo-2-oxo-1-propylindol-3-ylidene)methyl]-6-iodo-3-phenylquinazolin-4-one
CID 6166138
3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one
CID 6614301

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one (CID 39861690) is 3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one is CCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2-c2ccccc2OC)c2ccccc21.
What is the InChIKey of 3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one?
The InChIKey is NRAJQZOTJHYXBD-LVZFUZTISA-N. The full InChI is InChI=1S/C27H23N3O3/c1-3-16-29-22-13-7-5-10-18(22)20(26(29)31)17-25-28-21-12-6-4-11-19(21)27(32)30(25)23-14-8-9-15-24(23)33-2/h4-15,17H,3,16H2,1-2H3/b20-17+.
What are the key properties of 3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one?
3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one has a molecular weight of 437.50 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one is sourced from PubChem (CID 39861690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).