(2R)-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperazine-1,4-dicarboxylic acid

C17H21N3O6 — CID 68985199

IUPAC(2R)-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperazine-1,4-dicarboxylic acid
SMILESO=C1CCc2ccc(OCC[C@@H]3CN(C(=O)O)CCN3C(=O)O)cc2N1
InChIInChI=1S/C17H21N3O6/c21-15-4-2-11-1-3-13(9-14(11)18-15)26-8-5-12-10-19(16(22)23)6-7-20(12)17(24)25/h1,3,9,12H,2,4-8,10H2,(H,18,21)(H,22,23)(H,24,25)/t12-/m1/s1
InChIKeyGEKWZBSTGTYXON-GFCCVEGCSA-N
MW363.37 g/mol
LogP1.68
Rot. Bonds4

About (2R)-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperazine-1,4-dicarboxylic acid

(2R)-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperazine-1,4-dicarboxylic acid (PubChem CID 68985199) has the molecular formula C17H21N3O6 and a molecular weight of 363.37 g/mol. Its IUPAC name is (2R)-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperazine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R)-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperazine-1,4-dicarboxylic acid
PubChem CID68985199
Molecular FormulaC17H21N3O6
Molecular Weight363.37 g/mol
Exact Mass363.14
IUPAC Name(2R)-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperazine-1,4-dicarboxylic acid
SMILESO=C1CCc2ccc(OCC[C@@H]3CN(C(=O)O)CCN3C(=O)O)cc2N1
InChIInChI=1S/C17H21N3O6/c21-15-4-2-11-1-3-13(9-14(11)18-15)26-8-5-12-10-19(16(22)23)6-7-20(12)17(24)25/h1,3,9,12H,2,4-8,10H2,(H,18,21)(H,22,23)(H,24,25)/t12-/m1/s1
InChIKeyGEKWZBSTGTYXON-GFCCVEGCSA-N
XLogP1.68
TPSA119.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperazine-1,4-dicarboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)oxy]ethyl]piperazine-1,4-dicarboxylic acid
CID 68988915
(2R)-2-[2-[[1-(3-methoxypropyl)-2-oxo-3,4-dihydroquinolin-6-yl]oxy]ethyl]piperazine-1,4-dicarboxylic acid
CID 68990131
(2R)-2-[2-[4-(2-methoxy-2-oxoethyl)phenoxy]ethyl]piperazine-1,4-dicarboxylic acid
CID 68990230
hydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate
CID 114939971
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
7-[2-(2-oxo-1-pyridinyl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940102
7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 46829776
3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid
CID 114939866
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
CID 56851120
7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 134443286
5-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid
CID 114939878

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperazine-1,4-dicarboxylic acid?
The IUPAC name of (2R)-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperazine-1,4-dicarboxylic acid (CID 68985199) is (2R)-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperazine-1,4-dicarboxylic acid.
What is the SMILES notation for (2R)-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperazine-1,4-dicarboxylic acid?
The canonical SMILES for (2R)-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperazine-1,4-dicarboxylic acid is O=C1CCc2ccc(OCC[C@@H]3CN(C(=O)O)CCN3C(=O)O)cc2N1.
What is the InChIKey of (2R)-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperazine-1,4-dicarboxylic acid?
The InChIKey is GEKWZBSTGTYXON-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N3O6/c21-15-4-2-11-1-3-13(9-14(11)18-15)26-8-5-12-10-19(16(22)23)6-7-20(12)17(24)25/h1,3,9,12H,2,4-8,10H2,(H,18,21)(H,22,23)(H,24,25)/t12-/m1/s1.
What are the key properties of (2R)-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperazine-1,4-dicarboxylic acid?
(2R)-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperazine-1,4-dicarboxylic acid has a molecular weight of 363.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperazine-1,4-dicarboxylic acid is sourced from PubChem (CID 68985199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).