2-[[5-[(5S)-5,6-dihydropyrrolo[1,2-c]quinazolin-5-yl]furan-2-yl]methyl]isoindole-1,3-dione

C24H17N3O3 — CID 7195257

IUPAC2-[[5-[(5S)-5,6-dihydropyrrolo[1,2-c]quinazolin-5-yl]furan-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc([C@H]2Nc3ccccc3-c3cccn32)o1
InChIInChI=1S/C24H17N3O3/c28-23-16-6-1-2-7-17(16)24(29)27(23)14-15-11-12-21(30-15)22-25-19-9-4-3-8-18(19)20-10-5-13-26(20)22/h1-13,22,25H,14H2/t22-/m0/s1
InChIKeyDXUFXJCFQKZEDI-QFIPXVFZSA-N
MW395.42 g/mol
LogP4.52
Rot. Bonds3

About 2-[[5-[(5S)-5,6-dihydropyrrolo[1,2-c]quinazolin-5-yl]furan-2-yl]methyl]isoindole-1,3-dione

2-[[5-[(5S)-5,6-dihydropyrrolo[1,2-c]quinazolin-5-yl]furan-2-yl]methyl]isoindole-1,3-dione (PubChem CID 7195257) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[[5-[(5S)-5,6-dihydropyrrolo[1,2-c]quinazolin-5-yl]furan-2-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[5-[(5S)-5,6-dihydropyrrolo[1,2-c]quinazolin-5-yl]furan-2-yl]methyl]isoindole-1,3-dione
PubChem CID7195257
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC Name2-[[5-[(5S)-5,6-dihydropyrrolo[1,2-c]quinazolin-5-yl]furan-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc([C@H]2Nc3ccccc3-c3cccn32)o1
InChIInChI=1S/C24H17N3O3/c28-23-16-6-1-2-7-17(16)24(29)27(23)14-15-11-12-21(30-15)22-25-19-9-4-3-8-18(19)20-10-5-13-26(20)22/h1-13,22,25H,14H2/t22-/m0/s1
InChIKeyDXUFXJCFQKZEDI-QFIPXVFZSA-N
XLogP4.52
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(5S)-5,6-dihydropyrrolo[1,2-c]quinazolin-5-yl]furan-2-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[5-[(5S)-5,6-dihydropyrrolo[1,2-c]quinazolin-5-yl]furan-2-yl]methyl]isoindole-1,3-dione (CID 7195257) is 2-[[5-[(5S)-5,6-dihydropyrrolo[1,2-c]quinazolin-5-yl]furan-2-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[5-[(5S)-5,6-dihydropyrrolo[1,2-c]quinazolin-5-yl]furan-2-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[5-[(5S)-5,6-dihydropyrrolo[1,2-c]quinazolin-5-yl]furan-2-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccc([C@H]2Nc3ccccc3-c3cccn32)o1.
What is the InChIKey of 2-[[5-[(5S)-5,6-dihydropyrrolo[1,2-c]quinazolin-5-yl]furan-2-yl]methyl]isoindole-1,3-dione?
The InChIKey is DXUFXJCFQKZEDI-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H17N3O3/c28-23-16-6-1-2-7-17(16)24(29)27(23)14-15-11-12-21(30-15)22-25-19-9-4-3-8-18(19)20-10-5-13-26(20)22/h1-13,22,25H,14H2/t22-/m0/s1.
What are the key properties of 2-[[5-[(5S)-5,6-dihydropyrrolo[1,2-c]quinazolin-5-yl]furan-2-yl]methyl]isoindole-1,3-dione?
2-[[5-[(5S)-5,6-dihydropyrrolo[1,2-c]quinazolin-5-yl]furan-2-yl]methyl]isoindole-1,3-dione has a molecular weight of 395.42 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(5S)-5,6-dihydropyrrolo[1,2-c]quinazolin-5-yl]furan-2-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 7195257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).