2-(2-bicyclo[2.2.1]hept-5-enyl)quinoline-4-carboxylic acid

C17H15NO2 — CID 4165398

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C2CC3C=CC2C3)nc2ccccc12
InChIInChI=1S/C17H15NO2/c19-17(20)14-9-16(13-8-10-5-6-11(13)7-10)18-15-4-2-1-3-12(14)15/h1-6,9-11,13H,7-8H2,(H,19,20)
InChIKeyQKDDGOCUYOOPRI-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.61
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]hept-5-enyl)quinoline-4-carboxylic acid

2-(2-bicyclo[2.2.1]hept-5-enyl)quinoline-4-carboxylic acid (PubChem CID 4165398) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)quinoline-4-carboxylic acid
PubChem CID4165398
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C2CC3C=CC2C3)nc2ccccc12
InChIInChI=1S/C17H15NO2/c19-17(20)14-9-16(13-8-10-5-6-11(13)7-10)18-15-4-2-1-3-12(14)15/h1-6,9-11,13H,7-8H2,(H,19,20)
InChIKeyQKDDGOCUYOOPRI-UHFFFAOYSA-N
XLogP3.61
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid
CID 23025177
2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84635932
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
2-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-3H-benzimidazole-5-carboxylic acid
CID 95211368
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 22524950
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 129439488
2-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]quinoline-4-carboxylic acid
CID 3664541
(2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120569385

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)quinoline-4-carboxylic acid (CID 4165398) is 2-(2-bicyclo[2.2.1]hept-5-enyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)quinoline-4-carboxylic acid is O=C(O)c1cc(C2CC3C=CC2C3)nc2ccccc12.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)quinoline-4-carboxylic acid?
The InChIKey is QKDDGOCUYOOPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(20)14-9-16(13-8-10-5-6-11(13)7-10)18-15-4-2-1-3-12(14)15/h1-6,9-11,13H,7-8H2,(H,19,20).
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)quinoline-4-carboxylic acid?
2-(2-bicyclo[2.2.1]hept-5-enyl)quinoline-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 4165398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).