(1-benzyl-2-methylimidazo[4,5-c]cinnolin-8-yl)-(4-methylpiperazin-1-yl)methanone

C23H24N6O — CID 97442126

IUPAC(1-benzyl-2-methylimidazo[4,5-c]cinnolin-8-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1nc2nnc3ccc(C(=O)N4CCN(C)CC4)cc3c2n1Cc1ccccc1
InChIInChI=1S/C23H24N6O/c1-16-24-22-21(29(16)15-17-6-4-3-5-7-17)19-14-18(8-9-20(19)25-26-22)23(30)28-12-10-27(2)11-13-28/h3-9,14H,10-13,15H2,1-2H3
InChIKeyIEZZCQNSLXUABF-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.72
Rot. Bonds3

About (1-benzyl-2-methylimidazo[4,5-c]cinnolin-8-yl)-(4-methylpiperazin-1-yl)methanone

(1-benzyl-2-methylimidazo[4,5-c]cinnolin-8-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 97442126) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is (1-benzyl-2-methylimidazo[4,5-c]cinnolin-8-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-2-methylimidazo[4,5-c]cinnolin-8-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID97442126
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name(1-benzyl-2-methylimidazo[4,5-c]cinnolin-8-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1nc2nnc3ccc(C(=O)N4CCN(C)CC4)cc3c2n1Cc1ccccc1
InChIInChI=1S/C23H24N6O/c1-16-24-22-21(29(16)15-17-6-4-3-5-7-17)19-14-18(8-9-20(19)25-26-22)23(30)28-12-10-27(2)11-13-28/h3-9,14H,10-13,15H2,1-2H3
InChIKeyIEZZCQNSLXUABF-UHFFFAOYSA-N
XLogP2.72
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-benzyl-2-methylimidazo[4,5-c]cinnolin-8-yl)-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[4-(1-benzyl-2,3-dimethylindole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074923
(4-benzylpiperazin-1-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 110765233
[9-[(1-benzylpiperidin-4-yl)amino]acridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 11698881
(1-benzyl-2,3-dimethylindol-5-yl)-(4-benzylpiperazin-1-yl)methanone
CID 1040631
(1-cyclopentyl-2-methylimidazo[4,5-c]cinnolin-8-yl)-morpholin-4-ylmethanone
CID 97410544
ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
[1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylindol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 142593241
1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone
CID 90040069
(4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone
CID 110765544
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064
5-methyl-1-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrrole-3-carboxylic acid
CID 67377677
(1-benzyl-2,5-dimethylpyrrol-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78804333

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2-methylimidazo[4,5-c]cinnolin-8-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (1-benzyl-2-methylimidazo[4,5-c]cinnolin-8-yl)-(4-methylpiperazin-1-yl)methanone (CID 97442126) is (1-benzyl-2-methylimidazo[4,5-c]cinnolin-8-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-benzyl-2-methylimidazo[4,5-c]cinnolin-8-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (1-benzyl-2-methylimidazo[4,5-c]cinnolin-8-yl)-(4-methylpiperazin-1-yl)methanone is Cc1nc2nnc3ccc(C(=O)N4CCN(C)CC4)cc3c2n1Cc1ccccc1.
What is the InChIKey of (1-benzyl-2-methylimidazo[4,5-c]cinnolin-8-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is IEZZCQNSLXUABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-16-24-22-21(29(16)15-17-6-4-3-5-7-17)19-14-18(8-9-20(19)25-26-22)23(30)28-12-10-27(2)11-13-28/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of (1-benzyl-2-methylimidazo[4,5-c]cinnolin-8-yl)-(4-methylpiperazin-1-yl)methanone?
(1-benzyl-2-methylimidazo[4,5-c]cinnolin-8-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 400.49 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-2-methylimidazo[4,5-c]cinnolin-8-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 97442126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).