[(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone

C17H22N2O2 — CID 134828873

IUPAC[(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1[C@H](CO)[C@H]2c3ccccc3NC[C@H]21
InChIInChI=1S/C17H22N2O2/c20-10-15-16-12-7-3-4-8-13(12)18-9-14(16)19(15)17(21)11-5-1-2-6-11/h3-4,7-8,11,14-16,18,20H,1-2,5-6,9-10H2/t14-,15-,16+/m1/s1
InChIKeyRVNITZXRTJCMDC-OAGGEKHMSA-N
MW286.37 g/mol
LogP1.96
Rot. Bonds2

About [(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone

[(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone (PubChem CID 134828873) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is [(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone
PubChem CID134828873
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name[(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1[C@H](CO)[C@H]2c3ccccc3NC[C@H]21
InChIInChI=1S/C17H22N2O2/c20-10-15-16-12-7-3-4-8-13(12)18-9-14(16)19(15)17(21)11-5-1-2-6-11/h3-4,7-8,11,14-16,18,20H,1-2,5-6,9-10H2/t14-,15-,16+/m1/s1
InChIKeyRVNITZXRTJCMDC-OAGGEKHMSA-N
XLogP1.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2aS,8bS)-2-benzoyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-cyclopentylmethanone
CID 54653769
[(1R,2aR,8bR)-4-(benzenesulfonyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone
CID 54653773
[(1R,2aS,8bS)-2-(benzenesulfonyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
CID 54652443
[(1R,2aS,8bS)-1-(hydroxymethyl)-4-(pyridine-2-carbonyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-cyclohexylmethanone
CID 54653423
[(1S,2aR,8bR)-2-benzoyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-cyclohexylmethanone
CID 54653915
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(2,3-dihydro-1H-indol-3-yl)methanone
CID 80564716
[(1R,2aR,8bR)-2-(2-fluorobenzoyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-cyclobutylmethanone
CID 54653740
(2R,3S,4S)-1-(cyclopentanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
CID 54649892
2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 80565967
[(1S,2aS,8bS)-1-(hydroxymethyl)-4-(2-methoxybenzoyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-cyclopropylmethanone
CID 54652805
(1S,2aR,8bR)-N-(3-chlorophenyl)-2-(cyclopropanecarbonyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
CID 54653728
(1S,2aR,8bR)-2-(cyclopropanecarbonyl)-N-(2-fluorophenyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
CID 54653945

Frequently Asked Questions

What is the IUPAC name of [(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone?
The IUPAC name of [(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone (CID 134828873) is [(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone.
What is the SMILES notation for [(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone?
The canonical SMILES for [(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1[C@H](CO)[C@H]2c3ccccc3NC[C@H]21.
What is the InChIKey of [(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone?
The InChIKey is RVNITZXRTJCMDC-OAGGEKHMSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-10-15-16-12-7-3-4-8-13(12)18-9-14(16)19(15)17(21)11-5-1-2-6-11/h3-4,7-8,11,14-16,18,20H,1-2,5-6,9-10H2/t14-,15-,16+/m1/s1.
What are the key properties of [(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone?
[(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone has a molecular weight of 286.37 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone is sourced from PubChem (CID 134828873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).