4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline

C17H23N3 — CID 79234958

IUPAC4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline
SMILESCc1cc(CN2CCNCC2(C)C)c2ccccc2n1
InChIInChI=1S/C17H23N3/c1-13-10-14(15-6-4-5-7-16(15)19-13)11-20-9-8-18-12-17(20,2)3/h4-7,10,18H,8-9,11-12H2,1-3H3
InChIKeyXSJFBGVDALOVOQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.73
Rot. Bonds2

About 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline

4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline (PubChem CID 79234958) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline.

Molecular Properties

Compound Name4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline
PubChem CID79234958
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline
SMILESCc1cc(CN2CCNCC2(C)C)c2ccccc2n1
InChIInChI=1S/C17H23N3/c1-13-10-14(15-6-4-5-7-16(15)19-13)11-20-9-8-18-12-17(20,2)3/h4-7,10,18H,8-9,11-12H2,1-3H3
InChIKeyXSJFBGVDALOVOQ-UHFFFAOYSA-N
XLogP2.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline 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-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline?
The IUPAC name of 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline (CID 79234958) is 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline.
What is the SMILES notation for 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline?
The canonical SMILES for 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline is Cc1cc(CN2CCNCC2(C)C)c2ccccc2n1.
What is the InChIKey of 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline?
The InChIKey is XSJFBGVDALOVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-10-14(15-6-4-5-7-16(15)19-13)11-20-9-8-18-12-17(20,2)3/h4-7,10,18H,8-9,11-12H2,1-3H3.
What are the key properties of 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline?
4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline has a molecular weight of 269.39 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline is sourced from PubChem (CID 79234958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).