2-(4-benzylpiperazine-1-carbonyl)-1-methyl-4H-pyrrolo[3,2-c]isoquinolin-5-one

C24H24N4O2 — CID 90644178

IUPAC2-(4-benzylpiperazine-1-carbonyl)-1-methyl-4H-pyrrolo[3,2-c]isoquinolin-5-one
SMILESCn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2[nH]c(=O)c3ccccc3c21
InChIInChI=1S/C24H24N4O2/c1-26-21(15-20-22(26)18-9-5-6-10-19(18)23(29)25-20)24(30)28-13-11-27(12-14-28)16-17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3,(H,25,29)
InChIKeyDTICZQLWUDDZCJ-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.98
Rot. Bonds3

About 2-(4-benzylpiperazine-1-carbonyl)-1-methyl-4H-pyrrolo[3,2-c]isoquinolin-5-one

2-(4-benzylpiperazine-1-carbonyl)-1-methyl-4H-pyrrolo[3,2-c]isoquinolin-5-one (PubChem CID 90644178) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(4-benzylpiperazine-1-carbonyl)-1-methyl-4H-pyrrolo[3,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name2-(4-benzylpiperazine-1-carbonyl)-1-methyl-4H-pyrrolo[3,2-c]isoquinolin-5-one
PubChem CID90644178
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-(4-benzylpiperazine-1-carbonyl)-1-methyl-4H-pyrrolo[3,2-c]isoquinolin-5-one
SMILESCn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2[nH]c(=O)c3ccccc3c21
InChIInChI=1S/C24H24N4O2/c1-26-21(15-20-22(26)18-9-5-6-10-19(18)23(29)25-20)24(30)28-13-11-27(12-14-28)16-17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3,(H,25,29)
InChIKeyDTICZQLWUDDZCJ-UHFFFAOYSA-N
XLogP2.98
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzylpiperazine-1-carbonyl)-1-methyl-4H-pyrrolo[3,2-c]isoquinolin-5-one with MolForge

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Related Compounds

1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one
CID 90644176
(4-benzylpiperazin-1-yl)-(3-methyl-1H-indol-2-yl)methanone
CID 113204222
(4-benzylpiperazin-1-yl)-(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)methanone
CID 91958676
(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 59382180
5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692320
2-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]isoquinolin-1-one
CID 136541799
4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 110600792
7-(4-benzylpiperazine-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 27671511
4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 31280079
(4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone
CID 67585696
(4-benzylpiperazin-1-yl)-(5-chloro-1,3-dimethylindol-2-yl)methanone
CID 16646083
1-(4-benzylpiperazin-1-yl)-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110773664

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazine-1-carbonyl)-1-methyl-4H-pyrrolo[3,2-c]isoquinolin-5-one?
The IUPAC name of 2-(4-benzylpiperazine-1-carbonyl)-1-methyl-4H-pyrrolo[3,2-c]isoquinolin-5-one (CID 90644178) is 2-(4-benzylpiperazine-1-carbonyl)-1-methyl-4H-pyrrolo[3,2-c]isoquinolin-5-one.
What is the SMILES notation for 2-(4-benzylpiperazine-1-carbonyl)-1-methyl-4H-pyrrolo[3,2-c]isoquinolin-5-one?
The canonical SMILES for 2-(4-benzylpiperazine-1-carbonyl)-1-methyl-4H-pyrrolo[3,2-c]isoquinolin-5-one is Cn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2[nH]c(=O)c3ccccc3c21.
What is the InChIKey of 2-(4-benzylpiperazine-1-carbonyl)-1-methyl-4H-pyrrolo[3,2-c]isoquinolin-5-one?
The InChIKey is DTICZQLWUDDZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-26-21(15-20-22(26)18-9-5-6-10-19(18)23(29)25-20)24(30)28-13-11-27(12-14-28)16-17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3,(H,25,29).
What are the key properties of 2-(4-benzylpiperazine-1-carbonyl)-1-methyl-4H-pyrrolo[3,2-c]isoquinolin-5-one?
2-(4-benzylpiperazine-1-carbonyl)-1-methyl-4H-pyrrolo[3,2-c]isoquinolin-5-one has a molecular weight of 400.48 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazine-1-carbonyl)-1-methyl-4H-pyrrolo[3,2-c]isoquinolin-5-one is sourced from PubChem (CID 90644178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).