[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-6-ylmethanone

C19H18N4O2 — CID 146112740

IUPAC[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-6-ylmethanone
SMILESCc1nnc([C@]23CC[C@H]2CCN3C(=O)c2ccc3ncccc3c2)o1
InChIInChI=1S/C19H18N4O2/c1-12-21-22-18(25-12)19-8-6-15(19)7-10-23(19)17(24)14-4-5-16-13(11-14)3-2-9-20-16/h2-5,9,11,15H,6-8,10H2,1H3/t15-,19-/m0/s1
InChIKeyKRCAHVPMIYNQAV-KXBFYZLASA-N
MW334.38 g/mol
LogP3.08
Rot. Bonds2

About [(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-6-ylmethanone

[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-6-ylmethanone (PubChem CID 146112740) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is [(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-6-ylmethanone
PubChem CID146112740
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-6-ylmethanone
SMILESCc1nnc([C@]23CC[C@H]2CCN3C(=O)c2ccc3ncccc3c2)o1
InChIInChI=1S/C19H18N4O2/c1-12-21-22-18(25-12)19-8-6-15(19)7-10-23(19)17(24)14-4-5-16-13(11-14)3-2-9-20-16/h2-5,9,11,15H,6-8,10H2,1H3/t15-,19-/m0/s1
InChIKeyKRCAHVPMIYNQAV-KXBFYZLASA-N
XLogP3.08
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-6-ylmethanone with MolForge

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Related Compounds

(6-ethyl-2-pyridinyl)-[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]methanone
CID 146112892
[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-2-ylmethanone
CID 146112848
9-methyl-1-(quinoline-6-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633720
(2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
CID 125009721
ethane;quinoline-6-carboxylic acid
CID 91364452
[4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 115304563
1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone
CID 127041508
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
[(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 82705265
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119437061
1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone
CID 127041506

Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-6-ylmethanone?
The IUPAC name of [(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-6-ylmethanone (CID 146112740) is [(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-6-ylmethanone is Cc1nnc([C@]23CC[C@H]2CCN3C(=O)c2ccc3ncccc3c2)o1.
What is the InChIKey of [(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-6-ylmethanone?
The InChIKey is KRCAHVPMIYNQAV-KXBFYZLASA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12-21-22-18(25-12)19-8-6-15(19)7-10-23(19)17(24)14-4-5-16-13(11-14)3-2-9-20-16/h2-5,9,11,15H,6-8,10H2,1H3/t15-,19-/m0/s1.
What are the key properties of [(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-6-ylmethanone?
[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-6-ylmethanone has a molecular weight of 334.38 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 146112740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).