8-(2-hydroxyethyl)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione

C19H18N2O3 — CID 59647495

IUPAC8-(2-hydroxyethyl)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione
SMILESO=C1Nc2c(cc(-c3ccccc3)c3c2CN(CCO)CC3)C1=O
InChIInChI=1S/C19H18N2O3/c22-9-8-21-7-6-13-14(12-4-2-1-3-5-12)10-15-17(16(13)11-21)20-19(24)18(15)23/h1-5,10,22H,6-9,11H2,(H,20,23,24)
InChIKeyZICMJKAIDWSRHJ-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.84
Rot. Bonds3

About 8-(2-hydroxyethyl)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione

8-(2-hydroxyethyl)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione (PubChem CID 59647495) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 8-(2-hydroxyethyl)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione.

Molecular Properties

Compound Name8-(2-hydroxyethyl)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione
PubChem CID59647495
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name8-(2-hydroxyethyl)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione
SMILESO=C1Nc2c(cc(-c3ccccc3)c3c2CN(CCO)CC3)C1=O
InChIInChI=1S/C19H18N2O3/c22-9-8-21-7-6-13-14(12-4-2-1-3-5-12)10-15-17(16(13)11-21)20-19(24)18(15)23/h1-5,10,22H,6-9,11H2,(H,20,23,24)
InChIKeyZICMJKAIDWSRHJ-UHFFFAOYSA-N
XLogP1.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxyethyl)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione?
The IUPAC name of 8-(2-hydroxyethyl)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione (CID 59647495) is 8-(2-hydroxyethyl)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione.
What is the SMILES notation for 8-(2-hydroxyethyl)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione?
The canonical SMILES for 8-(2-hydroxyethyl)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione is O=C1Nc2c(cc(-c3ccccc3)c3c2CN(CCO)CC3)C1=O.
What is the InChIKey of 8-(2-hydroxyethyl)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione?
The InChIKey is ZICMJKAIDWSRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-9-8-21-7-6-13-14(12-4-2-1-3-5-12)10-15-17(16(13)11-21)20-19(24)18(15)23/h1-5,10,22H,6-9,11H2,(H,20,23,24).
What are the key properties of 8-(2-hydroxyethyl)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione?
8-(2-hydroxyethyl)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione has a molecular weight of 322.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxyethyl)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione is sourced from PubChem (CID 59647495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).