2-(3,3-dimethylpiperazin-1-yl)-8-methylquinoline

C16H21N3 — CID 174868871

IUPAC2-(3,3-dimethylpiperazin-1-yl)-8-methylquinoline
SMILESCc1cccc2ccc(N3CCNC(C)(C)C3)nc12
InChIInChI=1S/C16H21N3/c1-12-5-4-6-13-7-8-14(18-15(12)13)19-10-9-17-16(2,3)11-19/h4-8,17H,9-11H2,1-3H3
InChIKeyPUYLBXOFCJBZQO-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.73
Rot. Bonds1

About 2-(3,3-dimethylpiperazin-1-yl)-8-methylquinoline

2-(3,3-dimethylpiperazin-1-yl)-8-methylquinoline (PubChem CID 174868871) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperazin-1-yl)-8-methylquinoline.

Molecular Properties

Compound Name2-(3,3-dimethylpiperazin-1-yl)-8-methylquinoline
PubChem CID174868871
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-(3,3-dimethylpiperazin-1-yl)-8-methylquinoline
SMILESCc1cccc2ccc(N3CCNC(C)(C)C3)nc12
InChIInChI=1S/C16H21N3/c1-12-5-4-6-13-7-8-14(18-15(12)13)19-10-9-17-16(2,3)11-19/h4-8,17H,9-11H2,1-3H3
InChIKeyPUYLBXOFCJBZQO-UHFFFAOYSA-N
XLogP2.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpiperazin-1-yl)-8-methylquinoline?
The IUPAC name of 2-(3,3-dimethylpiperazin-1-yl)-8-methylquinoline (CID 174868871) is 2-(3,3-dimethylpiperazin-1-yl)-8-methylquinoline.
What is the SMILES notation for 2-(3,3-dimethylpiperazin-1-yl)-8-methylquinoline?
The canonical SMILES for 2-(3,3-dimethylpiperazin-1-yl)-8-methylquinoline is Cc1cccc2ccc(N3CCNC(C)(C)C3)nc12.
What is the InChIKey of 2-(3,3-dimethylpiperazin-1-yl)-8-methylquinoline?
The InChIKey is PUYLBXOFCJBZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-5-4-6-13-7-8-14(18-15(12)13)19-10-9-17-16(2,3)11-19/h4-8,17H,9-11H2,1-3H3.
What are the key properties of 2-(3,3-dimethylpiperazin-1-yl)-8-methylquinoline?
2-(3,3-dimethylpiperazin-1-yl)-8-methylquinoline has a molecular weight of 255.37 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperazin-1-yl)-8-methylquinoline is sourced from PubChem (CID 174868871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).