1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrido[2,3-d][1,3]oxazine-2,4-dione

C17H11N3O5 — CID 87254927

IUPAC1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrido[2,3-d][1,3]oxazine-2,4-dione
SMILESO=C1c2ccccc2C(=O)N1CCn1c(=O)oc(=O)c2cccnc21
InChIInChI=1S/C17H11N3O5/c21-14-10-4-1-2-5-11(10)15(22)20(14)9-8-19-13-12(6-3-7-18-13)16(23)25-17(19)24/h1-7H,8-9H2
InChIKeyYIKGTQIORYGCFY-UHFFFAOYSA-N
MW337.29 g/mol
LogP0.65
Rot. Bonds3

About 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrido[2,3-d][1,3]oxazine-2,4-dione

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrido[2,3-d][1,3]oxazine-2,4-dione (PubChem CID 87254927) has the molecular formula C17H11N3O5 and a molecular weight of 337.29 g/mol. Its IUPAC name is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrido[2,3-d][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrido[2,3-d][1,3]oxazine-2,4-dione
PubChem CID87254927
Molecular FormulaC17H11N3O5
Molecular Weight337.29 g/mol
Exact Mass337.07
IUPAC Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrido[2,3-d][1,3]oxazine-2,4-dione
SMILESO=C1c2ccccc2C(=O)N1CCn1c(=O)oc(=O)c2cccnc21
InChIInChI=1S/C17H11N3O5/c21-14-10-4-1-2-5-11(10)15(22)20(14)9-8-19-13-12(6-3-7-18-13)16(23)25-17(19)24/h1-7H,8-9H2
InChIKeyYIKGTQIORYGCFY-UHFFFAOYSA-N
XLogP0.65
TPSA102.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(pyridin-2-yl)piperazin-1-yl]-2-benzofuran-1(3H)-one
CID 662516
[3-(1,3-Dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl pyridine-3-carboxylate
CID 54589418
Methyl 3-[3-(cyclopentylmethyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate
CID 14442119
[3-(1,3-Dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl pyridine-3-carboxylate;hydrochloride
CID 57399709
Ethyl 3-benzyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 44370855
2-[3-(6-Oxo-1,2,3,4,6,10b-hexahydro-pyrido[2,1-a]isoindol-10-yl)-ureido]-nicotinic acid methyl ester
CID 67283821
Methyl 2-[1-[(2-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
CID 6621321
Methyl 3-(3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate
CID 14801674
Ethyl 6-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxylate
CID 37563700
6-[(2-Methyl-1,3-dioxoisoindol-4-yl)methylamino]pyridine-3-carboxylic acid
CID 53392432
2-(1-methyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)nicotinic acid
CID 56899883
Methyl 2-[1-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
CID 22423762

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrido[2,3-d][1,3]oxazine-2,4-dione?
The IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrido[2,3-d][1,3]oxazine-2,4-dione (CID 87254927) is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrido[2,3-d][1,3]oxazine-2,4-dione.
What is the SMILES notation for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrido[2,3-d][1,3]oxazine-2,4-dione?
The canonical SMILES for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrido[2,3-d][1,3]oxazine-2,4-dione is O=C1c2ccccc2C(=O)N1CCn1c(=O)oc(=O)c2cccnc21.
What is the InChIKey of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrido[2,3-d][1,3]oxazine-2,4-dione?
The InChIKey is YIKGTQIORYGCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O5/c21-14-10-4-1-2-5-11(10)15(22)20(14)9-8-19-13-12(6-3-7-18-13)16(23)25-17(19)24/h1-7H,8-9H2.
What are the key properties of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrido[2,3-d][1,3]oxazine-2,4-dione?
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrido[2,3-d][1,3]oxazine-2,4-dione has a molecular weight of 337.29 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrido[2,3-d][1,3]oxazine-2,4-dione is sourced from PubChem (CID 87254927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).