2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide

C21H26N2O2 — CID 56535016

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCCCOc1cccc2cccnc12
InChIInChI=1S/C21H26N2O2/c24-20(14-18-13-15-7-8-17(18)12-15)22-10-3-11-25-19-6-1-4-16-5-2-9-23-21(16)19/h1-2,4-6,9,15,17-18H,3,7-8,10-14H2,(H,22,24)
InChIKeyWJHDKUPGYAVRPG-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.95
Rot. Bonds7

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide (PubChem CID 56535016) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide
PubChem CID56535016
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCCCOc1cccc2cccnc12
InChIInChI=1S/C21H26N2O2/c24-20(14-18-13-15-7-8-17(18)12-15)22-10-3-11-25-19-6-1-4-16-5-2-9-23-21(16)19/h1-2,4-6,9,15,17-18H,3,7-8,10-14H2,(H,22,24)
InChIKeyWJHDKUPGYAVRPG-UHFFFAOYSA-N
XLogP3.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 21175592
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56543430
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 11915736
2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56535216
2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide
CID 103708805
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide
CID 56534973
4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide
CID 43133583
4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56535280

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide (CID 56535016) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide is O=C(CC1CC2CCC1C2)NCCCOc1cccc2cccnc12.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide?
The InChIKey is WJHDKUPGYAVRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-20(14-18-13-15-7-8-17(18)12-15)22-10-3-11-25-19-6-1-4-16-5-2-9-23-21(16)19/h1-2,4-6,9,15,17-18H,3,7-8,10-14H2,(H,22,24).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide is sourced from PubChem (CID 56535016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).