(2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid

C16H19N3O3 — CID 95221775

IUPAC(2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid
SMILESCN1CCN(Cc2ccc3cccc(O)c3n2)C[C@@H]1C(=O)O
InChIInChI=1S/C16H19N3O3/c1-18-7-8-19(10-13(18)16(21)22)9-12-6-5-11-3-2-4-14(20)15(11)17-12/h2-6,13,20H,7-10H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyMBTVPTFXEDWMCD-CYBMUJFWSA-N
MW301.35 g/mol
LogP1.14
Rot. Bonds3

About (2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid

(2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid (PubChem CID 95221775) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid
PubChem CID95221775
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid
SMILESCN1CCN(Cc2ccc3cccc(O)c3n2)C[C@@H]1C(=O)O
InChIInChI=1S/C16H19N3O3/c1-18-7-8-19(10-13(18)16(21)22)9-12-6-5-11-3-2-4-14(20)15(11)17-12/h2-6,13,20H,7-10H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyMBTVPTFXEDWMCD-CYBMUJFWSA-N
XLogP1.14
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid?
The IUPAC name of (2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid (CID 95221775) is (2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid is CN1CCN(Cc2ccc3cccc(O)c3n2)C[C@@H]1C(=O)O.
What is the InChIKey of (2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid?
The InChIKey is MBTVPTFXEDWMCD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-18-7-8-19(10-13(18)16(21)22)9-12-6-5-11-3-2-4-14(20)15(11)17-12/h2-6,13,20H,7-10H2,1H3,(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid?
(2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid is sourced from PubChem (CID 95221775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).