6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid

C15H14N2O2 — CID 164533157

IUPAC6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(N3CC4CC4C3)cc12
InChIInChI=1S/C15H14N2O2/c18-15(19)12-3-4-16-14-2-1-11(6-13(12)14)17-7-9-5-10(9)8-17/h1-4,6,9-10H,5,7-8H2,(H,18,19)
InChIKeyUEGIFZMRBFZBDN-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.39
Rot. Bonds2

About 6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid

6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid (PubChem CID 164533157) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid
PubChem CID164533157
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(N3CC4CC4C3)cc12
InChIInChI=1S/C15H14N2O2/c18-15(19)12-3-4-16-14-2-1-11(6-13(12)14)17-7-9-5-10(9)8-17/h1-4,6,9-10H,5,7-8H2,(H,18,19)
InChIKeyUEGIFZMRBFZBDN-UHFFFAOYSA-N
XLogP2.39
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid (CID 164533157) is 6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid is O=C(O)c1ccnc2ccc(N3CC4CC4C3)cc12.
What is the InChIKey of 6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid?
The InChIKey is UEGIFZMRBFZBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-15(19)12-3-4-16-14-2-1-11(6-13(12)14)17-7-9-5-10(9)8-17/h1-4,6,9-10H,5,7-8H2,(H,18,19).
What are the key properties of 6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid?
6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 164533157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).