6-(6-azabicyclo[3.2.0]heptan-6-yl)quinoline-4-carboxylic acid

C16H16N2O2 — CID 167118395

IUPAC6-(6-azabicyclo[3.2.0]heptan-6-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(N3CC4CCCC43)cc12
InChIInChI=1S/C16H16N2O2/c19-16(20)12-6-7-17-14-5-4-11(8-13(12)14)18-9-10-2-1-3-15(10)18/h4-8,10,15H,1-3,9H2,(H,19,20)
InChIKeyKKFDVBBOUVQWLF-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.92
Rot. Bonds2

About 6-(6-azabicyclo[3.2.0]heptan-6-yl)quinoline-4-carboxylic acid

6-(6-azabicyclo[3.2.0]heptan-6-yl)quinoline-4-carboxylic acid (PubChem CID 167118395) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-(6-azabicyclo[3.2.0]heptan-6-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(6-azabicyclo[3.2.0]heptan-6-yl)quinoline-4-carboxylic acid
PubChem CID167118395
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name6-(6-azabicyclo[3.2.0]heptan-6-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(N3CC4CCCC43)cc12
InChIInChI=1S/C16H16N2O2/c19-16(20)12-6-7-17-14-5-4-11(8-13(12)14)18-9-10-2-1-3-15(10)18/h4-8,10,15H,1-3,9H2,(H,19,20)
InChIKeyKKFDVBBOUVQWLF-UHFFFAOYSA-N
XLogP2.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid
CID 164533157
6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid
CID 164532604
6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid
CID 164532574
6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride
CID 175744986
6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid
CID 175477073
6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid
CID 164532677
tert-butyl 6-[(2R)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate
CID 164533103
tert-butyl 6-[(2S)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate
CID 164532802
6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid
CID 164533139
6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid
CID 170633352
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyridine-2-carboxylic acid
CID 102726689
methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate
CID 167118448

Frequently Asked Questions

What is the IUPAC name of 6-(6-azabicyclo[3.2.0]heptan-6-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-(6-azabicyclo[3.2.0]heptan-6-yl)quinoline-4-carboxylic acid (CID 167118395) is 6-(6-azabicyclo[3.2.0]heptan-6-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(6-azabicyclo[3.2.0]heptan-6-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-(6-azabicyclo[3.2.0]heptan-6-yl)quinoline-4-carboxylic acid is O=C(O)c1ccnc2ccc(N3CC4CCCC43)cc12.
What is the InChIKey of 6-(6-azabicyclo[3.2.0]heptan-6-yl)quinoline-4-carboxylic acid?
The InChIKey is KKFDVBBOUVQWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(20)12-6-7-17-14-5-4-11(8-13(12)14)18-9-10-2-1-3-15(10)18/h4-8,10,15H,1-3,9H2,(H,19,20).
What are the key properties of 6-(6-azabicyclo[3.2.0]heptan-6-yl)quinoline-4-carboxylic acid?
6-(6-azabicyclo[3.2.0]heptan-6-yl)quinoline-4-carboxylic acid has a molecular weight of 268.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-azabicyclo[3.2.0]heptan-6-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 167118395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).