[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone

C17H23N3O — CID 133119243

IUPAC[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone
SMILESO=C(c1cnc2c(c1)CCCC2)N1[C@@H]2CCNC[C@H]1CC2
InChIInChI=1S/C17H23N3O/c21-17(20-14-5-6-15(20)11-18-8-7-14)13-9-12-3-1-2-4-16(12)19-10-13/h9-10,14-15,18H,1-8,11H2/t14-,15+/m0/s1
InChIKeyVRAQLUUFEHFVFE-LSDHHAIUSA-N
MW285.39 g/mol
LogP1.93
Rot. Bonds1

About [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone

[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone (PubChem CID 133119243) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone.

Molecular Properties

Compound Name[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone
PubChem CID133119243
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone
SMILESO=C(c1cnc2c(c1)CCCC2)N1[C@@H]2CCNC[C@H]1CC2
InChIInChI=1S/C17H23N3O/c21-17(20-14-5-6-15(20)11-18-8-7-14)13-9-12-3-1-2-4-16(12)19-10-13/h9-10,14-15,18H,1-8,11H2/t14-,15+/m0/s1
InChIKeyVRAQLUUFEHFVFE-LSDHHAIUSA-N
XLogP1.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone with MolForge

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Related Compounds

[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone
CID 74243902
[(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone
CID 154568140
[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone
CID 122562869
6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride
CID 66815672
6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-3-carboxylic acid
CID 105445983
1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-yl)ethanone
CID 105444403
(1R,5S)-6-(2-methoxyethyl)-3-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133111053
1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 84751024
1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone
CID 59172058
[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone
CID 133122860
[1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone
CID 156606088
[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)methanone
CID 72858986

Frequently Asked Questions

What is the IUPAC name of [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone?
The IUPAC name of [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone (CID 133119243) is [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone.
What is the SMILES notation for [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone?
The canonical SMILES for [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone is O=C(c1cnc2c(c1)CCCC2)N1[C@@H]2CCNC[C@H]1CC2.
What is the InChIKey of [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone?
The InChIKey is VRAQLUUFEHFVFE-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H23N3O/c21-17(20-14-5-6-15(20)11-18-8-7-14)13-9-12-3-1-2-4-16(12)19-10-13/h9-10,14-15,18H,1-8,11H2/t14-,15+/m0/s1.
What are the key properties of [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone?
[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone has a molecular weight of 285.39 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone is sourced from PubChem (CID 133119243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).