9-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

C27H30N4O2 — CID 66757127

IUPAC9-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESO=C(CN1CCN(Cc2ccc3c(c2)Cc2c-3[nH]c(=O)c3ccccc23)CC1)N1CCCC1
InChIInChI=1S/C27H30N4O2/c32-25(31-9-3-4-10-31)18-30-13-11-29(12-14-30)17-19-7-8-21-20(15-19)16-24-22-5-1-2-6-23(22)27(33)28-26(21)24/h1-2,5-8,15H,3-4,9-14,16-18H2,(H,28,33)
InChIKeyRZRKNLAGUBTXKQ-UHFFFAOYSA-N
MW442.56 g/mol
LogP2.84
Rot. Bonds4

About 9-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

9-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (PubChem CID 66757127) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 9-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name9-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
PubChem CID66757127
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name9-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESO=C(CN1CCN(Cc2ccc3c(c2)Cc2c-3[nH]c(=O)c3ccccc23)CC1)N1CCCC1
InChIInChI=1S/C27H30N4O2/c32-25(31-9-3-4-10-31)18-30-13-11-29(12-14-30)17-19-7-8-21-20(15-19)16-24-22-5-1-2-6-23(22)27(33)28-26(21)24/h1-2,5-8,15H,3-4,9-14,16-18H2,(H,28,33)
InChIKeyRZRKNLAGUBTXKQ-UHFFFAOYSA-N
XLogP2.84
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one with MolForge

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Related Compounds

1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
3-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 27745227
2-[4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]benzonitrile
CID 30739189
1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 30470000
3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione
CID 16614267
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78793298
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
3-[2-(azocan-1-yl)-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 51145503
sodium 5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonate
CID 23705998
3-(piperidin-1-ylmethyl)-5H-phenanthridin-6-one
CID 10286231
2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 136705426
1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 17437474

Frequently Asked Questions

What is the IUPAC name of 9-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The IUPAC name of 9-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (CID 66757127) is 9-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.
What is the SMILES notation for 9-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The canonical SMILES for 9-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is O=C(CN1CCN(Cc2ccc3c(c2)Cc2c-3[nH]c(=O)c3ccccc23)CC1)N1CCCC1.
What is the InChIKey of 9-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The InChIKey is RZRKNLAGUBTXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c32-25(31-9-3-4-10-31)18-30-13-11-29(12-14-30)17-19-7-8-21-20(15-19)16-24-22-5-1-2-6-23(22)27(33)28-26(21)24/h1-2,5-8,15H,3-4,9-14,16-18H2,(H,28,33).
What are the key properties of 9-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
9-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one has a molecular weight of 442.56 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is sourced from PubChem (CID 66757127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).