2-tert-butyl-4-(7-hydroxyquinolin-4-yl)piperazine-1-carboxylic acid

C18H23N3O3 — CID 175817762

IUPAC2-tert-butyl-4-(7-hydroxyquinolin-4-yl)piperazine-1-carboxylic acid
SMILESCC(C)(C)C1CN(c2ccnc3cc(O)ccc23)CCN1C(=O)O
InChIInChI=1S/C18H23N3O3/c1-18(2,3)16-11-20(8-9-21(16)17(23)24)15-6-7-19-14-10-12(22)4-5-13(14)15/h4-7,10,16,22H,8-9,11H2,1-3H3,(H,23,24)
InChIKeyZFKIDTNCYVIZGW-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.16
Rot. Bonds1

About 2-tert-butyl-4-(7-hydroxyquinolin-4-yl)piperazine-1-carboxylic acid

2-tert-butyl-4-(7-hydroxyquinolin-4-yl)piperazine-1-carboxylic acid (PubChem CID 175817762) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-tert-butyl-4-(7-hydroxyquinolin-4-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-(7-hydroxyquinolin-4-yl)piperazine-1-carboxylic acid
PubChem CID175817762
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-tert-butyl-4-(7-hydroxyquinolin-4-yl)piperazine-1-carboxylic acid
SMILESCC(C)(C)C1CN(c2ccnc3cc(O)ccc23)CCN1C(=O)O
InChIInChI=1S/C18H23N3O3/c1-18(2,3)16-11-20(8-9-21(16)17(23)24)15-6-7-19-14-10-12(22)4-5-13(14)15/h4-7,10,16,22H,8-9,11H2,1-3H3,(H,23,24)
InChIKeyZFKIDTNCYVIZGW-UHFFFAOYSA-N
XLogP3.16
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(7-hydroxyquinolin-4-yl)piperazine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-(7-hydroxyquinolin-4-yl)piperazine-1-carboxylic acid (CID 175817762) is 2-tert-butyl-4-(7-hydroxyquinolin-4-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-(7-hydroxyquinolin-4-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-(7-hydroxyquinolin-4-yl)piperazine-1-carboxylic acid is CC(C)(C)C1CN(c2ccnc3cc(O)ccc23)CCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-4-(7-hydroxyquinolin-4-yl)piperazine-1-carboxylic acid?
The InChIKey is ZFKIDTNCYVIZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(2,3)16-11-20(8-9-21(16)17(23)24)15-6-7-19-14-10-12(22)4-5-13(14)15/h4-7,10,16,22H,8-9,11H2,1-3H3,(H,23,24).
What are the key properties of 2-tert-butyl-4-(7-hydroxyquinolin-4-yl)piperazine-1-carboxylic acid?
2-tert-butyl-4-(7-hydroxyquinolin-4-yl)piperazine-1-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(7-hydroxyquinolin-4-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 175817762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).