N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide

C27H36N6O2 — CID 146067220

IUPACN,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCC(C)c1nnc(C2CC3(CCN(Cc4cccc5cccnc45)CC3)CN2CC(=O)N(C)C)o1
InChIInChI=1S/C27H36N6O2/c1-19(2)25-29-30-26(35-25)22-15-27(18-33(22)17-23(34)31(3)4)10-13-32(14-11-27)16-21-8-5-7-20-9-6-12-28-24(20)21/h5-9,12,19,22H,10-11,13-18H2,1-4H3
InChIKeyYTDHQQZCYPLHOU-UHFFFAOYSA-N
MW476.63 g/mol
LogP3.86
Rot. Bonds6

About N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide

N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide (PubChem CID 146067220) has the molecular formula C27H36N6O2 and a molecular weight of 476.63 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
PubChem CID146067220
Molecular FormulaC27H36N6O2
Molecular Weight476.63 g/mol
Exact Mass476.29
IUPAC NameN,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCC(C)c1nnc(C2CC3(CCN(Cc4cccc5cccnc45)CC3)CN2CC(=O)N(C)C)o1
InChIInChI=1S/C27H36N6O2/c1-19(2)25-29-30-26(35-25)22-15-27(18-33(22)17-23(34)31(3)4)10-13-32(14-11-27)16-21-8-5-7-20-9-6-12-28-24(20)21/h5-9,12,19,22H,10-11,13-18H2,1-4H3
InChIKeyYTDHQQZCYPLHOU-UHFFFAOYSA-N
XLogP3.86
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide with MolForge

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Related Compounds

[(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 110203268
2-tert-butyl-5-[(3S)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137679
2-Ethyl-5-[(4-quinolin-4-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 122154223
N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(quinolin-3-ylmethyl)methanamine
CID 129606733
[(3S)-2-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 164629635
2-methyl-5-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole
CID 164639084
2-methyl-5-[(3S)-8-(2-phenylethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-yl]-1,3,4-oxadiazole
CID 164640471
[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 164641309
2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-(2-quinolin-4-ylethenyl)-1,3,4-oxadiazole
CID 171359461
5-[(1S,5R)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]quinoline-8-carbonitrile
CID 176355857
N-[(5-fluoroquinolin-8-yl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 71849272
2-[2-[(5-fluoroquinolin-8-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole
CID 87011115

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide (CID 146067220) is N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide is CC(C)c1nnc(C2CC3(CCN(Cc4cccc5cccnc45)CC3)CN2CC(=O)N(C)C)o1.
What is the InChIKey of N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The InChIKey is YTDHQQZCYPLHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O2/c1-19(2)25-29-30-26(35-25)22-15-27(18-33(22)17-23(34)31(3)4)10-13-32(14-11-27)16-21-8-5-7-20-9-6-12-28-24(20)21/h5-9,12,19,22H,10-11,13-18H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide has a molecular weight of 476.63 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide is sourced from PubChem (CID 146067220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).