6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione

C23H22N2O3 — CID 132968815

IUPAC6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CC(O)CN1CCCC1
InChIInChI=1S/C23H22N2O3/c26-15(13-24-11-5-6-12-24)14-25-21-17-8-2-3-9-18(17)22(27)20(21)16-7-1-4-10-19(16)23(25)28/h1-4,7-10,15,26H,5-6,11-14H2
InChIKeyJNYRWZCPADIXJI-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.67
Rot. Bonds4

About 6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione

6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 132968815) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID132968815
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CC(O)CN1CCCC1
InChIInChI=1S/C23H22N2O3/c26-15(13-24-11-5-6-12-24)14-25-21-17-8-2-3-9-18(17)22(27)20(21)16-7-1-4-10-19(16)23(25)28/h1-4,7-10,15,26H,5-6,11-14H2
InChIKeyJNYRWZCPADIXJI-UHFFFAOYSA-N
XLogP2.67
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Related Compounds

6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127254868
3-bromo-6-[(2S)-2,3-dihydroxypropyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 122179148
6-[2-hydroxy-3-(4-methoxyphenoxy)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127253469
6-[(2S)-2,3-dihydroxypropyl]-3-methylsulfonylindeno[1,2-c]isoquinoline-5,11-dione
CID 122179159
6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 2826374
6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 67872285
6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 54581116
6-[3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 158110774
6-(3-bromopropyl)indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 91061389
9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
CID 3154656
2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium
CID 59799530
4-bromo-N-[[1-[3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-2-hydroxypropyl]triazol-4-yl]methyl]benzamide
CID 127051633

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione (CID 132968815) is 6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione is O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CC(O)CN1CCCC1.
What is the InChIKey of 6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is JNYRWZCPADIXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-15(13-24-11-5-6-12-24)14-25-21-17-8-2-3-9-18(17)22(27)20(21)16-7-1-4-10-19(16)23(25)28/h1-4,7-10,15,26H,5-6,11-14H2.
What are the key properties of 6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione?
6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 374.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 132968815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).