1-(2-bicyclo[2.2.1]heptanyl)-3-quinolin-2-ylpropan-2-one

C19H21NO — CID 43118501

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-quinolin-2-ylpropan-2-one
SMILESO=C(Cc1ccc2ccccc2n1)CC1CC2CCC1C2
InChIInChI=1S/C19H21NO/c21-18(11-16-10-13-5-6-15(16)9-13)12-17-8-7-14-3-1-2-4-19(14)20-17/h1-4,7-8,13,15-16H,5-6,9-12H2
InChIKeyRZZFDIYVCPKBSO-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.17
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-3-quinolin-2-ylpropan-2-one

1-(2-bicyclo[2.2.1]heptanyl)-3-quinolin-2-ylpropan-2-one (PubChem CID 43118501) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-quinolin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-quinolin-2-ylpropan-2-one
PubChem CID43118501
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-quinolin-2-ylpropan-2-one
SMILESO=C(Cc1ccc2ccccc2n1)CC1CC2CCC1C2
InChIInChI=1S/C19H21NO/c21-18(11-16-10-13-5-6-15(16)9-13)12-17-8-7-14-3-1-2-4-19(14)20-17/h1-4,7-8,13,15-16H,5-6,9-12H2
InChIKeyRZZFDIYVCPKBSO-UHFFFAOYSA-N
XLogP4.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one
CID 116591404
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methyltriazol-4-yl)propan-2-one
CID 107062863
3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one
CID 116558652
N-cyclohexyl-2-quinolin-2-ylacetamide
CID 110464171
1-quinolin-2-ylpentan-2-one
CID 28935199
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 23307105
1-[2-(aminomethyl)cyclohexyl]-2-quinolin-2-ylethanone
CID 116584736
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
8-amino-1-quinolin-2-yloctan-2-one
CID 116551634
1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-one
CID 79558066
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 63527858
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4814618

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-quinolin-2-ylpropan-2-one?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-quinolin-2-ylpropan-2-one (CID 43118501) is 1-(2-bicyclo[2.2.1]heptanyl)-3-quinolin-2-ylpropan-2-one.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-quinolin-2-ylpropan-2-one?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-quinolin-2-ylpropan-2-one is O=C(Cc1ccc2ccccc2n1)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-quinolin-2-ylpropan-2-one?
The InChIKey is RZZFDIYVCPKBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-18(11-16-10-13-5-6-15(16)9-13)12-17-8-7-14-3-1-2-4-19(14)20-17/h1-4,7-8,13,15-16H,5-6,9-12H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-quinolin-2-ylpropan-2-one?
1-(2-bicyclo[2.2.1]heptanyl)-3-quinolin-2-ylpropan-2-one has a molecular weight of 279.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-quinolin-2-ylpropan-2-one is sourced from PubChem (CID 43118501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).