2-(4,6-dioxo-5-phenyl-3-quinolin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide

C22H18N4O4 — CID 3573183

IUPAC2-(4,6-dioxo-5-phenyl-3-quinolin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide
SMILESNC(=O)CN1OC2C(=O)N(c3ccccc3)C(=O)C2C1c1cnc2ccccc2c1
InChIInChI=1S/C22H18N4O4/c23-17(27)12-25-19(14-10-13-6-4-5-9-16(13)24-11-14)18-20(30-25)22(29)26(21(18)28)15-7-2-1-3-8-15/h1-11,18-20H,12H2,(H2,23,27)
InChIKeyOQXKRGVSIUGQKA-UHFFFAOYSA-N
MW402.41 g/mol
LogP1.57
Rot. Bonds4

About 2-(4,6-dioxo-5-phenyl-3-quinolin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide

2-(4,6-dioxo-5-phenyl-3-quinolin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide (PubChem CID 3573183) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 2-(4,6-dioxo-5-phenyl-3-quinolin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dioxo-5-phenyl-3-quinolin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide
PubChem CID3573183
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name2-(4,6-dioxo-5-phenyl-3-quinolin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide
SMILESNC(=O)CN1OC2C(=O)N(c3ccccc3)C(=O)C2C1c1cnc2ccccc2c1
InChIInChI=1S/C22H18N4O4/c23-17(27)12-25-19(14-10-13-6-4-5-9-16(13)24-11-14)18-20(30-25)22(29)26(21(18)28)15-7-2-1-3-8-15/h1-11,18-20H,12H2,(H2,23,27)
InChIKeyOQXKRGVSIUGQKA-UHFFFAOYSA-N
XLogP1.57
TPSA105.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3,5-dihydroxyphenyl)-4,6-dioxo-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
CID 3859452
2-[3-(3,4-dihydroxyphenyl)-4,6-dioxo-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
CID 3702008
2-[3-(4-tert-butylphenyl)-4,6-dioxo-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
CID 3859666
2-[3-(3,4-dimethoxyphenyl)-4,6-dioxo-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
CID 3330216
2-[3-(3-methoxyphenyl)-4,6-dioxo-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
CID 4985476
2-[3-(1-benzofuran-2-yl)-5-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
CID 3859450
2-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
CID 3726912
2-[3-(3,4-dimethylphenyl)-5-(2-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
CID 3859471
2-[5-(3-chloro-4-methylphenyl)-4,6-dioxo-3-pyridin-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
CID 3458284
2-[5-(4-bromophenyl)-3-[3-(4-methoxyphenoxy)phenyl]-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
CID 3513235
2-[5-(3-chloro-4-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
CID 3858600
2-[5-(2-methylphenyl)-3-(6-methyl-2-pyridinyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
CID 3458287

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dioxo-5-phenyl-3-quinolin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-dioxo-5-phenyl-3-quinolin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide (CID 3573183) is 2-(4,6-dioxo-5-phenyl-3-quinolin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dioxo-5-phenyl-3-quinolin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dioxo-5-phenyl-3-quinolin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide is NC(=O)CN1OC2C(=O)N(c3ccccc3)C(=O)C2C1c1cnc2ccccc2c1.
What is the InChIKey of 2-(4,6-dioxo-5-phenyl-3-quinolin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide?
The InChIKey is OQXKRGVSIUGQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c23-17(27)12-25-19(14-10-13-6-4-5-9-16(13)24-11-14)18-20(30-25)22(29)26(21(18)28)15-7-2-1-3-8-15/h1-11,18-20H,12H2,(H2,23,27).
What are the key properties of 2-(4,6-dioxo-5-phenyl-3-quinolin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide?
2-(4,6-dioxo-5-phenyl-3-quinolin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide has a molecular weight of 402.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dioxo-5-phenyl-3-quinolin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl)acetamide is sourced from PubChem (CID 3573183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).