6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone

C16H15NO — CID 114963148

IUPAC6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone
SMILESO=C(c1cnc2ccccc2c1)C1C2CCCC21
InChIInChI=1S/C16H15NO/c18-16(15-12-5-3-6-13(12)15)11-8-10-4-1-2-7-14(10)17-9-11/h1-2,4,7-9,12-13,15H,3,5-6H2
InChIKeyYXNNATZRGSTQCZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.46
Rot. Bonds2

About 6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone

6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone (PubChem CID 114963148) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone
PubChem CID114963148
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone
SMILESO=C(c1cnc2ccccc2c1)C1C2CCCC21
InChIInChI=1S/C16H15NO/c18-16(15-12-5-3-6-13(12)15)11-8-10-4-1-2-7-14(10)17-9-11/h1-2,4,7-9,12-13,15H,3,5-6H2
InChIKeyYXNNATZRGSTQCZ-UHFFFAOYSA-N
XLogP3.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl(quinolin-3-yl)methanone
CID 54861205
2,3-dihydro-1H-inden-2-yl(quinolin-3-yl)methanone
CID 65406841
pyrrolidin-3-yl(quinolin-3-yl)methanone
CID 116568242
quinoline-3-carboxylate
CID 4608508
cyclopentyl quinoline-3-carboxylate
CID 91372569
2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone
CID 105080984
quinoline-3-carboxamide;hydrofluoride
CID 174911514
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
2,3-dihydro-1H-indol-3-yl(quinolin-3-yl)methanone
CID 116594537
1-quinolin-3-ylprop-2-en-1-one
CID 103453657
3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one
CID 114963138
2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one
CID 103446227

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone (CID 114963148) is 6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone is O=C(c1cnc2ccccc2c1)C1C2CCCC21.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone?
The InChIKey is YXNNATZRGSTQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-16(15-12-5-3-6-13(12)15)11-8-10-4-1-2-7-14(10)17-9-11/h1-2,4,7-9,12-13,15H,3,5-6H2.
What are the key properties of 6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone?
6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone is sourced from PubChem (CID 114963148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).