N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-fluoroindol-1-yl)propanamide

C21H28FN3O — CID 45371513

IUPACN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-fluoroindol-1-yl)propanamide
SMILESO=C(CCn1ccc2ccc(F)cc21)NCC1CCCN2CCCCC12
InChIInChI=1S/C21H28FN3O/c22-18-7-6-16-8-12-25(20(16)14-18)13-9-21(26)23-15-17-4-3-11-24-10-2-1-5-19(17)24/h6-8,12,14,17,19H,1-5,9-11,13,15H2,(H,23,26)
InChIKeyLOCALLAVIUZBAU-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.55
Rot. Bonds5

About N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-fluoroindol-1-yl)propanamide

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-fluoroindol-1-yl)propanamide (PubChem CID 45371513) has the molecular formula C21H28FN3O and a molecular weight of 357.47 g/mol. Its IUPAC name is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-fluoroindol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-fluoroindol-1-yl)propanamide
PubChem CID45371513
Molecular FormulaC21H28FN3O
Molecular Weight357.47 g/mol
Exact Mass357.22
IUPAC NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-fluoroindol-1-yl)propanamide
SMILESO=C(CCn1ccc2ccc(F)cc21)NCC1CCCN2CCCCC12
InChIInChI=1S/C21H28FN3O/c22-18-7-6-16-8-12-25(20(16)14-18)13-9-21(26)23-15-17-4-3-11-24-10-2-1-5-19(17)24/h6-8,12,14,17,19H,1-5,9-11,13,15H2,(H,23,26)
InChIKeyLOCALLAVIUZBAU-UHFFFAOYSA-N
XLogP3.55
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-fluoroindol-1-yl)propanamide?
The IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-fluoroindol-1-yl)propanamide (CID 45371513) is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-fluoroindol-1-yl)propanamide.
What is the SMILES notation for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-fluoroindol-1-yl)propanamide?
The canonical SMILES for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-fluoroindol-1-yl)propanamide is O=C(CCn1ccc2ccc(F)cc21)NCC1CCCN2CCCCC12.
What is the InChIKey of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-fluoroindol-1-yl)propanamide?
The InChIKey is LOCALLAVIUZBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O/c22-18-7-6-16-8-12-25(20(16)14-18)13-9-21(26)23-15-17-4-3-11-24-10-2-1-5-19(17)24/h6-8,12,14,17,19H,1-5,9-11,13,15H2,(H,23,26).
What are the key properties of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-fluoroindol-1-yl)propanamide?
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-fluoroindol-1-yl)propanamide has a molecular weight of 357.47 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-fluoroindol-1-yl)propanamide is sourced from PubChem (CID 45371513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).