3-(2-chlorophenyl)-4-[2-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]pyrrole-2,5-dione

C23H19ClN2O3 — CID 67839361

IUPAC3-(2-chlorophenyl)-4-[2-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2c3c(n4ccccc24)CCC(CO)C3)=C1c1ccccc1Cl
InChIInChI=1S/C23H19ClN2O3/c24-16-6-2-1-5-14(16)20-21(23(29)25-22(20)28)19-15-11-13(12-27)8-9-17(15)26-10-4-3-7-18(19)26/h1-7,10,13,27H,8-9,11-12H2,(H,25,28,29)
InChIKeyHYPDVIVTTYXMNH-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.26
Rot. Bonds3

About 3-(2-chlorophenyl)-4-[2-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]pyrrole-2,5-dione

3-(2-chlorophenyl)-4-[2-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]pyrrole-2,5-dione (PubChem CID 67839361) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-[2-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-[2-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]pyrrole-2,5-dione
PubChem CID67839361
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name3-(2-chlorophenyl)-4-[2-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2c3c(n4ccccc24)CCC(CO)C3)=C1c1ccccc1Cl
InChIInChI=1S/C23H19ClN2O3/c24-16-6-2-1-5-14(16)20-21(23(29)25-22(20)28)19-15-11-13(12-27)8-9-17(15)26-10-4-3-7-18(19)26/h1-7,10,13,27H,8-9,11-12H2,(H,25,28,29)
InChIKeyHYPDVIVTTYXMNH-UHFFFAOYSA-N
XLogP3.26
TPSA70.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-[2-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(2-chlorophenyl)-4-[2-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]pyrrole-2,5-dione (CID 67839361) is 3-(2-chlorophenyl)-4-[2-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-4-[2-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(2-chlorophenyl)-4-[2-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]pyrrole-2,5-dione is O=C1NC(=O)C(c2c3c(n4ccccc24)CCC(CO)C3)=C1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-[2-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]pyrrole-2,5-dione?
The InChIKey is HYPDVIVTTYXMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c24-16-6-2-1-5-14(16)20-21(23(29)25-22(20)28)19-15-11-13(12-27)8-9-17(15)26-10-4-3-7-18(19)26/h1-7,10,13,27H,8-9,11-12H2,(H,25,28,29).
What are the key properties of 3-(2-chlorophenyl)-4-[2-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]pyrrole-2,5-dione?
3-(2-chlorophenyl)-4-[2-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]pyrrole-2,5-dione has a molecular weight of 406.87 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-[2-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]pyrrole-2,5-dione is sourced from PubChem (CID 67839361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).