1-(8-carboxy-2-methylquinolin-4-yl)piperidine-4-carboxylate

C17H17N2O4- — CID 7138134

IUPAC1-(8-carboxy-2-methylquinolin-4-yl)piperidine-4-carboxylate
SMILESCc1cc(N2CCC(C(=O)[O-])CC2)c2cccc(C(=O)O)c2n1
InChIInChI=1S/C17H18N2O4/c1-10-9-14(19-7-5-11(6-8-19)16(20)21)12-3-2-4-13(17(22)23)15(12)18-10/h2-4,9,11H,5-8H2,1H3,(H,20,21)(H,22,23)/p-1
InChIKeyVNDMAUJEXLXPNR-UHFFFAOYSA-M
MW313.33 g/mol
LogP1.21
Rot. Bonds3

About 1-(8-carboxy-2-methylquinolin-4-yl)piperidine-4-carboxylate

1-(8-carboxy-2-methylquinolin-4-yl)piperidine-4-carboxylate (PubChem CID 7138134) has the molecular formula C17H17N2O4- and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-(8-carboxy-2-methylquinolin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Name1-(8-carboxy-2-methylquinolin-4-yl)piperidine-4-carboxylate
PubChem CID7138134
Molecular FormulaC17H17N2O4-
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name1-(8-carboxy-2-methylquinolin-4-yl)piperidine-4-carboxylate
SMILESCc1cc(N2CCC(C(=O)[O-])CC2)c2cccc(C(=O)O)c2n1
InChIInChI=1S/C17H18N2O4/c1-10-9-14(19-7-5-11(6-8-19)16(20)21)12-3-2-4-13(17(22)23)15(12)18-10/h2-4,9,11H,5-8H2,1H3,(H,20,21)(H,22,23)/p-1
InChIKeyVNDMAUJEXLXPNR-UHFFFAOYSA-M
XLogP1.21
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(8-carboxy-2-methylquinolin-4-yl)piperidine-4-carboxylate?
The IUPAC name of 1-(8-carboxy-2-methylquinolin-4-yl)piperidine-4-carboxylate (CID 7138134) is 1-(8-carboxy-2-methylquinolin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for 1-(8-carboxy-2-methylquinolin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for 1-(8-carboxy-2-methylquinolin-4-yl)piperidine-4-carboxylate is Cc1cc(N2CCC(C(=O)[O-])CC2)c2cccc(C(=O)O)c2n1.
What is the InChIKey of 1-(8-carboxy-2-methylquinolin-4-yl)piperidine-4-carboxylate?
The InChIKey is VNDMAUJEXLXPNR-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H18N2O4/c1-10-9-14(19-7-5-11(6-8-19)16(20)21)12-3-2-4-13(17(22)23)15(12)18-10/h2-4,9,11H,5-8H2,1H3,(H,20,21)(H,22,23)/p-1.
What are the key properties of 1-(8-carboxy-2-methylquinolin-4-yl)piperidine-4-carboxylate?
1-(8-carboxy-2-methylquinolin-4-yl)piperidine-4-carboxylate has a molecular weight of 313.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-carboxy-2-methylquinolin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 7138134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).