(5,7-dibromoquinolin-8-yl) piperidine-1-carboxylate

C15H14Br2N2O2 — CID 1186390

IUPAC(5,7-dibromoquinolin-8-yl) piperidine-1-carboxylate
SMILESO=C(Oc1c(Br)cc(Br)c2cccnc12)N1CCCCC1
InChIInChI=1S/C15H14Br2N2O2/c16-11-9-12(17)14(13-10(11)5-4-6-18-13)21-15(20)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8H2
InChIKeyVPTGJSRRAXGPEW-UHFFFAOYSA-N
MW414.10 g/mol
LogP4.74
Rot. Bonds1

About (5,7-dibromoquinolin-8-yl) piperidine-1-carboxylate

(5,7-dibromoquinolin-8-yl) piperidine-1-carboxylate (PubChem CID 1186390) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is (5,7-dibromoquinolin-8-yl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(5,7-dibromoquinolin-8-yl) piperidine-1-carboxylate
PubChem CID1186390
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name(5,7-dibromoquinolin-8-yl) piperidine-1-carboxylate
SMILESO=C(Oc1c(Br)cc(Br)c2cccnc12)N1CCCCC1
InChIInChI=1S/C15H14Br2N2O2/c16-11-9-12(17)14(13-10(11)5-4-6-18-13)21-15(20)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8H2
InChIKeyVPTGJSRRAXGPEW-UHFFFAOYSA-N
XLogP4.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,7-dibromoquinolin-8-yl) piperidine-1-carboxylate?
The IUPAC name of (5,7-dibromoquinolin-8-yl) piperidine-1-carboxylate (CID 1186390) is (5,7-dibromoquinolin-8-yl) piperidine-1-carboxylate.
What is the SMILES notation for (5,7-dibromoquinolin-8-yl) piperidine-1-carboxylate?
The canonical SMILES for (5,7-dibromoquinolin-8-yl) piperidine-1-carboxylate is O=C(Oc1c(Br)cc(Br)c2cccnc12)N1CCCCC1.
What is the InChIKey of (5,7-dibromoquinolin-8-yl) piperidine-1-carboxylate?
The InChIKey is VPTGJSRRAXGPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c16-11-9-12(17)14(13-10(11)5-4-6-18-13)21-15(20)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8H2.
What are the key properties of (5,7-dibromoquinolin-8-yl) piperidine-1-carboxylate?
(5,7-dibromoquinolin-8-yl) piperidine-1-carboxylate has a molecular weight of 414.10 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dibromoquinolin-8-yl) piperidine-1-carboxylate is sourced from PubChem (CID 1186390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).