6-(2-methylpiperazin-1-yl)quinoline-2-carboxylic acid

C15H17N3O2 — CID 155401536

IUPAC6-(2-methylpiperazin-1-yl)quinoline-2-carboxylic acid
SMILESCC1CNCCN1c1ccc2nc(C(=O)O)ccc2c1
InChIInChI=1S/C15H17N3O2/c1-10-9-16-6-7-18(10)12-3-5-13-11(8-12)2-4-14(17-13)15(19)20/h2-5,8,10,16H,6-7,9H2,1H3,(H,19,20)
InChIKeyZWTIOCQQKNENCZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.73
Rot. Bonds2

About 6-(2-methylpiperazin-1-yl)quinoline-2-carboxylic acid

6-(2-methylpiperazin-1-yl)quinoline-2-carboxylic acid (PubChem CID 155401536) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-(2-methylpiperazin-1-yl)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-methylpiperazin-1-yl)quinoline-2-carboxylic acid
PubChem CID155401536
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-(2-methylpiperazin-1-yl)quinoline-2-carboxylic acid
SMILESCC1CNCCN1c1ccc2nc(C(=O)O)ccc2c1
InChIInChI=1S/C15H17N3O2/c1-10-9-16-6-7-18(10)12-3-5-13-11(8-12)2-4-14(17-13)15(19)20/h2-5,8,10,16H,6-7,9H2,1H3,(H,19,20)
InChIKeyZWTIOCQQKNENCZ-UHFFFAOYSA-N
XLogP1.73
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-methylpiperazin-1-yl]benzoic acid
CID 45073187
2-chloro-4-(2-methylpiperazin-1-yl)benzoic acid
CID 76853894
2-fluoro-4-[(2S)-2-methylpiperazin-1-yl]benzoic acid
CID 99909361
6-pyrrolidin-1-ylquinoline-2-carboxylic acid
CID 82243885
N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide
CID 166021939
N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide;hydrochloride
CID 170561549
1-(3-chloro-4-methylphenyl)-2-methylpiperazine
CID 64939185
(2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine
CID 121448830
(2S)-2-methyl-1-pyridin-4-ylpiperazine
CID 94546152
(7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 126766991
1-(4-bromo-3-chlorophenyl)-2-methylpiperazine
CID 107617353
(2S)-1-(4-fluoro-3-methoxyphenyl)-2-methylpiperazine
CID 96908124

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpiperazin-1-yl)quinoline-2-carboxylic acid?
The IUPAC name of 6-(2-methylpiperazin-1-yl)quinoline-2-carboxylic acid (CID 155401536) is 6-(2-methylpiperazin-1-yl)quinoline-2-carboxylic acid.
What is the SMILES notation for 6-(2-methylpiperazin-1-yl)quinoline-2-carboxylic acid?
The canonical SMILES for 6-(2-methylpiperazin-1-yl)quinoline-2-carboxylic acid is CC1CNCCN1c1ccc2nc(C(=O)O)ccc2c1.
What is the InChIKey of 6-(2-methylpiperazin-1-yl)quinoline-2-carboxylic acid?
The InChIKey is ZWTIOCQQKNENCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-9-16-6-7-18(10)12-3-5-13-11(8-12)2-4-14(17-13)15(19)20/h2-5,8,10,16H,6-7,9H2,1H3,(H,19,20).
What are the key properties of 6-(2-methylpiperazin-1-yl)quinoline-2-carboxylic acid?
6-(2-methylpiperazin-1-yl)quinoline-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpiperazin-1-yl)quinoline-2-carboxylic acid is sourced from PubChem (CID 155401536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).