2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid

C16H16N2O3 — CID 80715673

IUPAC2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(NC3CC4CCC3O4)ccc12
InChIInChI=1S/C16H16N2O3/c19-16(20)11-2-1-3-12-10(11)5-7-15(17-12)18-13-8-9-4-6-14(13)21-9/h1-3,5,7,9,13-14H,4,6,8H2,(H,17,18)(H,19,20)
InChIKeyMGVUHSOWVCNRBW-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.66
Rot. Bonds3

About 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid

2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid (PubChem CID 80715673) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid
PubChem CID80715673
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(NC3CC4CCC3O4)ccc12
InChIInChI=1S/C16H16N2O3/c19-16(20)11-2-1-3-12-10(11)5-7-15(17-12)18-13-8-9-4-6-14(13)21-9/h1-3,5,7,9,13-14H,4,6,8H2,(H,17,18)(H,19,20)
InChIKeyMGVUHSOWVCNRBW-UHFFFAOYSA-N
XLogP2.66
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid
CID 82728278
2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid
CID 106361777
2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid
CID 114546973
1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)isoquinoline-3-carboxylic acid
CID 80715173
2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)benzoic acid
CID 80719402
1-[2-(cyclopropylamino)quinolin-5-yl]ethanone
CID 70964841
3-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)benzoic acid
CID 80714704
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 80732536
4-N,6-N-bis[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyrimidine-4,6-diamine
CID 129429968
2-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]furan-3-carboxylic acid
CID 103258454
3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80732424
4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80732447

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid?
The IUPAC name of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid (CID 80715673) is 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid.
What is the SMILES notation for 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid?
The canonical SMILES for 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid is O=C(O)c1cccc2nc(NC3CC4CCC3O4)ccc12.
What is the InChIKey of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid?
The InChIKey is MGVUHSOWVCNRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-16(20)11-2-1-3-12-10(11)5-7-15(17-12)18-13-8-9-4-6-14(13)21-9/h1-3,5,7,9,13-14H,4,6,8H2,(H,17,18)(H,19,20).
What are the key properties of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid?
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid is sourced from PubChem (CID 80715673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).