4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylic acid

C15H14ClF2N3O2 — CID 67284689

IUPAC4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylic acid
SMILESCc1c(N2CCN(C(=O)O)CC2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C15H14ClF2N3O2/c1-8-13(16)12-10(18)6-9(17)7-11(12)19-14(8)20-2-4-21(5-3-20)15(22)23/h6-7H,2-5H2,1H3,(H,22,23)
InChIKeySJQZQQKWUVNZLP-UHFFFAOYSA-N
MW341.75 g/mol
LogP3.27
Rot. Bonds1

About 4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylic acid

4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylic acid (PubChem CID 67284689) has the molecular formula C15H14ClF2N3O2 and a molecular weight of 341.75 g/mol. Its IUPAC name is 4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylic acid
PubChem CID67284689
Molecular FormulaC15H14ClF2N3O2
Molecular Weight341.75 g/mol
Exact Mass341.07
IUPAC Name4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylic acid
SMILESCc1c(N2CCN(C(=O)O)CC2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C15H14ClF2N3O2/c1-8-13(16)12-10(18)6-9(17)7-11(12)19-14(8)20-2-4-21(5-3-20)15(22)23/h6-7H,2-5H2,1H3,(H,22,23)
InChIKeySJQZQQKWUVNZLP-UHFFFAOYSA-N
XLogP3.27
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylic acid (CID 67284689) is 4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylic acid is Cc1c(N2CCN(C(=O)O)CC2)nc2cc(F)cc(F)c2c1Cl.
What is the InChIKey of 4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylic acid?
The InChIKey is SJQZQQKWUVNZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N3O2/c1-8-13(16)12-10(18)6-9(17)7-11(12)19-14(8)20-2-4-21(5-3-20)15(22)23/h6-7H,2-5H2,1H3,(H,22,23).
What are the key properties of 4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylic acid?
4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylic acid has a molecular weight of 341.75 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 67284689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).