4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one

C21H18N2O — CID 134847462

IUPAC4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one
SMILESO=C1c2ccccc2C2CCCC2N1c1cccc2cccnc12
InChIInChI=1S/C21H18N2O/c24-21-17-9-2-1-8-15(17)16-10-4-11-18(16)23(21)19-12-3-6-14-7-5-13-22-20(14)19/h1-3,5-9,12-13,16,18H,4,10-11H2
InChIKeyUKYXVOIIDAGXOH-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.53
Rot. Bonds1

About 4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one

4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one (PubChem CID 134847462) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one.

Molecular Properties

Compound Name4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one
PubChem CID134847462
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one
SMILESO=C1c2ccccc2C2CCCC2N1c1cccc2cccnc12
InChIInChI=1S/C21H18N2O/c24-21-17-9-2-1-8-15(17)16-10-4-11-18(16)23(21)19-12-3-6-14-7-5-13-22-20(14)19/h1-3,5-9,12-13,16,18H,4,10-11H2
InChIKeyUKYXVOIIDAGXOH-UHFFFAOYSA-N
XLogP4.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one with MolForge

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Related Compounds

(4E)-4-benzylidene-3-phenyl-2-quinolin-8-yl-3H-isoquinolin-1-one
CID 132548090
(1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one
CID 73426764
2-[(1R)-2-phenylcyclopentyl]isoindole-1,3-dione
CID 142191199
(4S)-4-phenyl-5-quinolin-8-yl-4H-thieno[2,3-c]pyrrol-6-one
CID 139095203
2-quinolin-8-ylcyclohexan-1-amine
CID 81224075
8-(2-chlorocycloheptyl)quinoline
CID 81223913
8-cyclopropylquinoline
CID 66823369
4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one
CID 146659598
1-(quinolin-8-ylmethyl)indole-2,3-dione
CID 3008305
5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione
CID 2168091
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one
CID 46989276

Frequently Asked Questions

What is the IUPAC name of 4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one?
The IUPAC name of 4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one (CID 134847462) is 4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one.
What is the SMILES notation for 4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one?
The canonical SMILES for 4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one is O=C1c2ccccc2C2CCCC2N1c1cccc2cccnc12.
What is the InChIKey of 4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one?
The InChIKey is UKYXVOIIDAGXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c24-21-17-9-2-1-8-15(17)16-10-4-11-18(16)23(21)19-12-3-6-14-7-5-13-22-20(14)19/h1-3,5-9,12-13,16,18H,4,10-11H2.
What are the key properties of 4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one?
4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one has a molecular weight of 314.39 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one is sourced from PubChem (CID 134847462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).