8-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid

C16H19N3O2 — CID 53016825

IUPAC8-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid
SMILESCc1cccc2c(C(=O)O)cc(N3CCN(C)CC3)nc12
InChIInChI=1S/C16H19N3O2/c1-11-4-3-5-12-13(16(20)21)10-14(17-15(11)12)19-8-6-18(2)7-9-19/h3-5,10H,6-9H2,1-2H3,(H,20,21)
InChIKeyNYFTUKOQIYUOGF-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.99
Rot. Bonds2

About 8-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid

8-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid (PubChem CID 53016825) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 8-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid
PubChem CID53016825
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name8-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid
SMILESCc1cccc2c(C(=O)O)cc(N3CCN(C)CC3)nc12
InChIInChI=1S/C16H19N3O2/c1-11-4-3-5-12-13(16(20)21)10-14(17-15(11)12)19-8-6-18(2)7-9-19/h3-5,10H,6-9H2,1-2H3,(H,20,21)
InChIKeyNYFTUKOQIYUOGF-UHFFFAOYSA-N
XLogP1.99
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid?
The IUPAC name of 8-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid (CID 53016825) is 8-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 8-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 8-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid is Cc1cccc2c(C(=O)O)cc(N3CCN(C)CC3)nc12.
What is the InChIKey of 8-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid?
The InChIKey is NYFTUKOQIYUOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-4-3-5-12-13(16(20)21)10-14(17-15(11)12)19-8-6-18(2)7-9-19/h3-5,10H,6-9H2,1-2H3,(H,20,21).
What are the key properties of 8-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid?
8-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 53016825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).