N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-fluoro-2-(tetrazol-1-yl)benzamide

C18H23FN6O — CID 163076007

IUPACN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-fluoro-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCC1CCCN2CCCCC12)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C18H23FN6O/c19-14-6-7-17(25-12-21-22-23-25)15(10-14)18(26)20-11-13-4-3-9-24-8-2-1-5-16(13)24/h6-7,10,12-13,16H,1-5,8-9,11H2,(H,20,26)
InChIKeyPDZAAGXHZJJVTR-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.80
Rot. Bonds4

About N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-fluoro-2-(tetrazol-1-yl)benzamide

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-fluoro-2-(tetrazol-1-yl)benzamide (PubChem CID 163076007) has the molecular formula C18H23FN6O and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-fluoro-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-fluoro-2-(tetrazol-1-yl)benzamide
PubChem CID163076007
Molecular FormulaC18H23FN6O
Molecular Weight358.42 g/mol
Exact Mass358.19
IUPAC NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-fluoro-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCC1CCCN2CCCCC12)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C18H23FN6O/c19-14-6-7-17(25-12-21-22-23-25)15(10-14)18(26)20-11-13-4-3-9-24-8-2-1-5-16(13)24/h6-7,10,12-13,16H,1-5,8-9,11H2,(H,20,26)
InChIKeyPDZAAGXHZJJVTR-UHFFFAOYSA-N
XLogP1.80
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 42535796
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide
CID 91637708
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 29140117
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 99989836
5-fluoro-N-(furan-2-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 42534396
5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
CID 42534608
5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42582423
5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42569387
N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide
CID 42534528
5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide
CID 71707777
5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119509965
5-fluoro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 51054659

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-fluoro-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-fluoro-2-(tetrazol-1-yl)benzamide (CID 163076007) is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-fluoro-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-fluoro-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-fluoro-2-(tetrazol-1-yl)benzamide is O=C(NCC1CCCN2CCCCC12)c1cc(F)ccc1-n1cnnn1.
What is the InChIKey of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-fluoro-2-(tetrazol-1-yl)benzamide?
The InChIKey is PDZAAGXHZJJVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6O/c19-14-6-7-17(25-12-21-22-23-25)15(10-14)18(26)20-11-13-4-3-9-24-8-2-1-5-16(13)24/h6-7,10,12-13,16H,1-5,8-9,11H2,(H,20,26).
What are the key properties of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-fluoro-2-(tetrazol-1-yl)benzamide?
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-fluoro-2-(tetrazol-1-yl)benzamide has a molecular weight of 358.42 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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)-5-fluoro-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 163076007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).