5-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(3H-1,2-oxazol-2-yl)-7-pyridin-2-yl-2-quinolin-2-ylisoindole-1,3-dione

C32H20N6O4 — CID 141013329

IUPAC5-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(3H-1,2-oxazol-2-yl)-7-pyridin-2-yl-2-quinolin-2-ylisoindole-1,3-dione
SMILESO=C1c2c(c(N3CC=CO3)c(-c3ccco3)c(-c3ncc[nH]3)c2-c2ccccn2)C(=O)N1c1ccc2ccccc2n1
InChIInChI=1S/C32H20N6O4/c39-31-27-24(21-9-3-4-13-33-21)26(30-34-14-15-35-30)25(22-10-5-17-41-22)29(37-16-6-18-42-37)28(27)32(40)38(31)23-12-11-19-7-1-2-8-20(19)36-23/h1-15,17-18H,16H2,(H,34,35)
InChIKeyIKTBAYYOLRRXKX-UHFFFAOYSA-N
MW552.55 g/mol
LogP6.01
Rot. Bonds5

About 5-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(3H-1,2-oxazol-2-yl)-7-pyridin-2-yl-2-quinolin-2-ylisoindole-1,3-dione

5-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(3H-1,2-oxazol-2-yl)-7-pyridin-2-yl-2-quinolin-2-ylisoindole-1,3-dione (PubChem CID 141013329) has the molecular formula C32H20N6O4 and a molecular weight of 552.55 g/mol. Its IUPAC name is 5-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(3H-1,2-oxazol-2-yl)-7-pyridin-2-yl-2-quinolin-2-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(3H-1,2-oxazol-2-yl)-7-pyridin-2-yl-2-quinolin-2-ylisoindole-1,3-dione
PubChem CID141013329
Molecular FormulaC32H20N6O4
Molecular Weight552.55 g/mol
Exact Mass552.15
IUPAC Name5-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(3H-1,2-oxazol-2-yl)-7-pyridin-2-yl-2-quinolin-2-ylisoindole-1,3-dione
SMILESO=C1c2c(c(N3CC=CO3)c(-c3ccco3)c(-c3ncc[nH]3)c2-c2ccccn2)C(=O)N1c1ccc2ccccc2n1
InChIInChI=1S/C32H20N6O4/c39-31-27-24(21-9-3-4-13-33-21)26(30-34-14-15-35-30)25(22-10-5-17-41-22)29(37-16-6-18-42-37)28(27)32(40)38(31)23-12-11-19-7-1-2-8-20(19)36-23/h1-15,17-18H,16H2,(H,34,35)
InChIKeyIKTBAYYOLRRXKX-UHFFFAOYSA-N
XLogP6.01
TPSA117.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.55
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(3H-1,2-oxazol-2-yl)-7-pyridin-2-yl-2-quinolin-2-ylisoindole-1,3-dione?
The IUPAC name of 5-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(3H-1,2-oxazol-2-yl)-7-pyridin-2-yl-2-quinolin-2-ylisoindole-1,3-dione (CID 141013329) is 5-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(3H-1,2-oxazol-2-yl)-7-pyridin-2-yl-2-quinolin-2-ylisoindole-1,3-dione.
What is the SMILES notation for 5-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(3H-1,2-oxazol-2-yl)-7-pyridin-2-yl-2-quinolin-2-ylisoindole-1,3-dione?
The canonical SMILES for 5-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(3H-1,2-oxazol-2-yl)-7-pyridin-2-yl-2-quinolin-2-ylisoindole-1,3-dione is O=C1c2c(c(N3CC=CO3)c(-c3ccco3)c(-c3ncc[nH]3)c2-c2ccccn2)C(=O)N1c1ccc2ccccc2n1.
What is the InChIKey of 5-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(3H-1,2-oxazol-2-yl)-7-pyridin-2-yl-2-quinolin-2-ylisoindole-1,3-dione?
The InChIKey is IKTBAYYOLRRXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N6O4/c39-31-27-24(21-9-3-4-13-33-21)26(30-34-14-15-35-30)25(22-10-5-17-41-22)29(37-16-6-18-42-37)28(27)32(40)38(31)23-12-11-19-7-1-2-8-20(19)36-23/h1-15,17-18H,16H2,(H,34,35).
What are the key properties of 5-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(3H-1,2-oxazol-2-yl)-7-pyridin-2-yl-2-quinolin-2-ylisoindole-1,3-dione?
5-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(3H-1,2-oxazol-2-yl)-7-pyridin-2-yl-2-quinolin-2-ylisoindole-1,3-dione has a molecular weight of 552.55 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(3H-1,2-oxazol-2-yl)-7-pyridin-2-yl-2-quinolin-2-ylisoindole-1,3-dione is sourced from PubChem (CID 141013329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).