2-(2-methylquinolin-6-yl)-2-piperazin-1-ylacetic acid

C16H19N3O2 — CID 105378911

IUPAC2-(2-methylquinolin-6-yl)-2-piperazin-1-ylacetic acid
SMILESCc1ccc2cc(C(C(=O)O)N3CCNCC3)ccc2n1
InChIInChI=1S/C16H19N3O2/c1-11-2-3-12-10-13(4-5-14(12)18-11)15(16(20)21)19-8-6-17-7-9-19/h2-5,10,15,17H,6-9H2,1H3,(H,20,21)
InChIKeyONUCKRNAQROKSL-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.57
Rot. Bonds3

About 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylacetic acid

2-(2-methylquinolin-6-yl)-2-piperazin-1-ylacetic acid (PubChem CID 105378911) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylacetic acid.

Molecular Properties

Compound Name2-(2-methylquinolin-6-yl)-2-piperazin-1-ylacetic acid
PubChem CID105378911
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(2-methylquinolin-6-yl)-2-piperazin-1-ylacetic acid
SMILESCc1ccc2cc(C(C(=O)O)N3CCNCC3)ccc2n1
InChIInChI=1S/C16H19N3O2/c1-11-2-3-12-10-13(4-5-14(12)18-11)15(16(20)21)19-8-6-17-7-9-19/h2-5,10,15,17H,6-9H2,1H3,(H,20,21)
InChIKeyONUCKRNAQROKSL-UHFFFAOYSA-N
XLogP1.57
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylquinolin-6-yl)-2-piperazin-1-ylethanol
CID 105379243
2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid
CID 104822558
2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid
CID 55039331
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
2-(4-bromophenyl)-2-piperazin-1-ylacetic acid
CID 11145832
2-(4-acetylphenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid
CID 118413005
2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid
CID 105379523
1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one
CID 70916217
2-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetic acid
CID 54890531
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
CID 93409129
1-naphthalen-2-yl-1-piperazin-1-ylpentan-2-one
CID 70916258
2-piperazin-1-yl-2-(3,4,5-trifluorophenyl)acetic acid
CID 55148515

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylacetic acid?
The IUPAC name of 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylacetic acid (CID 105378911) is 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylacetic acid.
What is the SMILES notation for 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylacetic acid?
The canonical SMILES for 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylacetic acid is Cc1ccc2cc(C(C(=O)O)N3CCNCC3)ccc2n1.
What is the InChIKey of 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylacetic acid?
The InChIKey is ONUCKRNAQROKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-2-3-12-10-13(4-5-14(12)18-11)15(16(20)21)19-8-6-17-7-9-19/h2-5,10,15,17H,6-9H2,1H3,(H,20,21).
What are the key properties of 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylacetic acid?
2-(2-methylquinolin-6-yl)-2-piperazin-1-ylacetic acid has a molecular weight of 285.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylacetic acid is sourced from PubChem (CID 105378911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).