2-[3-(4-methylpiperazin-1-yl)quinolin-6-yl]acetic acid

C16H19N3O2 — CID 123748317

IUPAC2-[3-(4-methylpiperazin-1-yl)quinolin-6-yl]acetic acid
SMILESCN1CCN(c2cnc3ccc(CC(=O)O)cc3c2)CC1
InChIInChI=1S/C16H19N3O2/c1-18-4-6-19(7-5-18)14-10-13-8-12(9-16(20)21)2-3-15(13)17-11-14/h2-3,8,10-11H,4-7,9H2,1H3,(H,20,21)
InChIKeyHJTZPQDJNMYSJM-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.61
Rot. Bonds3

About 2-[3-(4-methylpiperazin-1-yl)quinolin-6-yl]acetic acid

2-[3-(4-methylpiperazin-1-yl)quinolin-6-yl]acetic acid (PubChem CID 123748317) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[3-(4-methylpiperazin-1-yl)quinolin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-methylpiperazin-1-yl)quinolin-6-yl]acetic acid
PubChem CID123748317
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[3-(4-methylpiperazin-1-yl)quinolin-6-yl]acetic acid
SMILESCN1CCN(c2cnc3ccc(CC(=O)O)cc3c2)CC1
InChIInChI=1S/C16H19N3O2/c1-18-4-6-19(7-5-18)14-10-13-8-12(9-16(20)21)2-3-15(13)17-11-14/h2-3,8,10-11H,4-7,9H2,1H3,(H,20,21)
InChIKeyHJTZPQDJNMYSJM-UHFFFAOYSA-N
XLogP1.61
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methylpiperazin-1-yl)phenyl]acetic acid
CID 28807075
[3-(4-methylpiperazin-1-yl)quinolin-6-yl] trifluoromethanesulfonate
CID 88920307
2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
CID 83896648
2-(3-bromoquinolin-6-yl)acetic acid
CID 59320341
2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
CID 140529582
3-(4-phenylpiperazin-1-yl)quinolin-6-ol
CID 89443600
4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid
CID 89443969
2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride
CID 142636464
4-quinolin-3-ylpiperazine-1-carboxylic acid
CID 69402111
3-[4-(2-phenylethyl)piperazin-1-yl]quinoline
CID 174498019
2-(1,6-naphthyridin-3-yl)acetic acid
CID 84770667
2-[4-(4-acetylpiperazin-1-yl)phenyl]acetic acid
CID 135263317

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperazin-1-yl)quinolin-6-yl]acetic acid?
The IUPAC name of 2-[3-(4-methylpiperazin-1-yl)quinolin-6-yl]acetic acid (CID 123748317) is 2-[3-(4-methylpiperazin-1-yl)quinolin-6-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-methylpiperazin-1-yl)quinolin-6-yl]acetic acid?
The canonical SMILES for 2-[3-(4-methylpiperazin-1-yl)quinolin-6-yl]acetic acid is CN1CCN(c2cnc3ccc(CC(=O)O)cc3c2)CC1.
What is the InChIKey of 2-[3-(4-methylpiperazin-1-yl)quinolin-6-yl]acetic acid?
The InChIKey is HJTZPQDJNMYSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18-4-6-19(7-5-18)14-10-13-8-12(9-16(20)21)2-3-15(13)17-11-14/h2-3,8,10-11H,4-7,9H2,1H3,(H,20,21).
What are the key properties of 2-[3-(4-methylpiperazin-1-yl)quinolin-6-yl]acetic acid?
2-[3-(4-methylpiperazin-1-yl)quinolin-6-yl]acetic acid has a molecular weight of 285.35 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperazin-1-yl)quinolin-6-yl]acetic acid is sourced from PubChem (CID 123748317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).