5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione

C22H17N3O4 — CID 15991825

IUPAC5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione
SMILESCc1cc(N2C(=O)c3ccc(C(=O)N4CCc5ccccc5C4)cc3C2=O)no1
InChIInChI=1S/C22H17N3O4/c1-13-10-19(23-29-13)25-21(27)17-7-6-15(11-18(17)22(25)28)20(26)24-9-8-14-4-2-3-5-16(14)12-24/h2-7,10-11H,8-9,12H2,1H3
InChIKeyHZWRCPRWILHNKM-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.98
Rot. Bonds2

About 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione

5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione (PubChem CID 15991825) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione
PubChem CID15991825
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione
SMILESCc1cc(N2C(=O)c3ccc(C(=O)N4CCc5ccccc5C4)cc3C2=O)no1
InChIInChI=1S/C22H17N3O4/c1-13-10-19(23-29-13)25-21(27)17-7-6-15(11-18(17)22(25)28)20(26)24-9-8-14-4-2-3-5-16(14)12-24/h2-7,10-11H,8-9,12H2,1H3
InChIKeyHZWRCPRWILHNKM-UHFFFAOYSA-N
XLogP2.98
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
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 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione (CID 15991825) is 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione is Cc1cc(N2C(=O)c3ccc(C(=O)N4CCc5ccccc5C4)cc3C2=O)no1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione?
The InChIKey is HZWRCPRWILHNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c1-13-10-19(23-29-13)25-21(27)17-7-6-15(11-18(17)22(25)28)20(26)24-9-8-14-4-2-3-5-16(14)12-24/h2-7,10-11H,8-9,12H2,1H3.
What are the key properties of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione?
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione has a molecular weight of 387.40 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 15991825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).