[4-(1-ethylimidazole-2-carbonyl)-2-methylpiperazin-1-yl]-(4-methylquinolin-8-yl)methanone

C22H25N5O2 — CID 167964218

IUPAC[4-(1-ethylimidazole-2-carbonyl)-2-methylpiperazin-1-yl]-(4-methylquinolin-8-yl)methanone
SMILESCCn1ccnc1C(=O)N1CCN(C(=O)c2cccc3c(C)ccnc23)C(C)C1
InChIInChI=1S/C22H25N5O2/c1-4-25-11-10-24-20(25)22(29)26-12-13-27(16(3)14-26)21(28)18-7-5-6-17-15(2)8-9-23-19(17)18/h5-11,16H,4,12-14H2,1-3H3
InChIKeyOWXOEQNYNOSWIZ-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.75
Rot. Bonds3

About [4-(1-ethylimidazole-2-carbonyl)-2-methylpiperazin-1-yl]-(4-methylquinolin-8-yl)methanone

[4-(1-ethylimidazole-2-carbonyl)-2-methylpiperazin-1-yl]-(4-methylquinolin-8-yl)methanone (PubChem CID 167964218) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [4-(1-ethylimidazole-2-carbonyl)-2-methylpiperazin-1-yl]-(4-methylquinolin-8-yl)methanone.

Molecular Properties

Compound Name[4-(1-ethylimidazole-2-carbonyl)-2-methylpiperazin-1-yl]-(4-methylquinolin-8-yl)methanone
PubChem CID167964218
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[4-(1-ethylimidazole-2-carbonyl)-2-methylpiperazin-1-yl]-(4-methylquinolin-8-yl)methanone
SMILESCCn1ccnc1C(=O)N1CCN(C(=O)c2cccc3c(C)ccnc23)C(C)C1
InChIInChI=1S/C22H25N5O2/c1-4-25-11-10-24-20(25)22(29)26-12-13-27(16(3)14-26)21(28)18-7-5-6-17-15(2)8-9-23-19(17)18/h5-11,16H,4,12-14H2,1-3H3
InChIKeyOWXOEQNYNOSWIZ-UHFFFAOYSA-N
XLogP2.75
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(1-ethylimidazole-2-carbonyl)-2-methylpiperazin-1-yl]-(4-methylquinolin-8-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylimidazole-2-carbonyl)-2-methylpiperazin-1-yl]-(4-methylquinolin-8-yl)methanone?
The IUPAC name of [4-(1-ethylimidazole-2-carbonyl)-2-methylpiperazin-1-yl]-(4-methylquinolin-8-yl)methanone (CID 167964218) is [4-(1-ethylimidazole-2-carbonyl)-2-methylpiperazin-1-yl]-(4-methylquinolin-8-yl)methanone.
What is the SMILES notation for [4-(1-ethylimidazole-2-carbonyl)-2-methylpiperazin-1-yl]-(4-methylquinolin-8-yl)methanone?
The canonical SMILES for [4-(1-ethylimidazole-2-carbonyl)-2-methylpiperazin-1-yl]-(4-methylquinolin-8-yl)methanone is CCn1ccnc1C(=O)N1CCN(C(=O)c2cccc3c(C)ccnc23)C(C)C1.
What is the InChIKey of [4-(1-ethylimidazole-2-carbonyl)-2-methylpiperazin-1-yl]-(4-methylquinolin-8-yl)methanone?
The InChIKey is OWXOEQNYNOSWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-4-25-11-10-24-20(25)22(29)26-12-13-27(16(3)14-26)21(28)18-7-5-6-17-15(2)8-9-23-19(17)18/h5-11,16H,4,12-14H2,1-3H3.
What are the key properties of [4-(1-ethylimidazole-2-carbonyl)-2-methylpiperazin-1-yl]-(4-methylquinolin-8-yl)methanone?
[4-(1-ethylimidazole-2-carbonyl)-2-methylpiperazin-1-yl]-(4-methylquinolin-8-yl)methanone has a molecular weight of 391.48 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethylimidazole-2-carbonyl)-2-methylpiperazin-1-yl]-(4-methylquinolin-8-yl)methanone is sourced from PubChem (CID 167964218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).