(5S,13bR)-5-phenyl-5,8,9,13b-tetrahydroisoquinolino[1,2-a]isoquinolin-6-one

C23H19NO — CID 170913650

IUPAC(5S,13bR)-5-phenyl-5,8,9,13b-tetrahydroisoquinolino[1,2-a]isoquinolin-6-one
SMILESO=C1[C@@H](c2ccccc2)c2ccccc2[C@H]2c3ccccc3CCN12
InChIInChI=1S/C23H19NO/c25-23-21(17-9-2-1-3-10-17)19-12-6-7-13-20(19)22-18-11-5-4-8-16(18)14-15-24(22)23/h1-13,21-22H,14-15H2/t21-,22+/m0/s1
InChIKeyMDOXGRHOJHHZCE-FCHUYYIVSA-N
MW325.41 g/mol
LogP4.31
Rot. Bonds1

About (5S,13bR)-5-phenyl-5,8,9,13b-tetrahydroisoquinolino[1,2-a]isoquinolin-6-one

(5S,13bR)-5-phenyl-5,8,9,13b-tetrahydroisoquinolino[1,2-a]isoquinolin-6-one (PubChem CID 170913650) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is (5S,13bR)-5-phenyl-5,8,9,13b-tetrahydroisoquinolino[1,2-a]isoquinolin-6-one.

Molecular Properties

Compound Name(5S,13bR)-5-phenyl-5,8,9,13b-tetrahydroisoquinolino[1,2-a]isoquinolin-6-one
PubChem CID170913650
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name(5S,13bR)-5-phenyl-5,8,9,13b-tetrahydroisoquinolino[1,2-a]isoquinolin-6-one
SMILESO=C1[C@@H](c2ccccc2)c2ccccc2[C@H]2c3ccccc3CCN12
InChIInChI=1S/C23H19NO/c25-23-21(17-9-2-1-3-10-17)19-12-6-7-13-20(19)22-18-11-5-4-8-16(18)14-15-24(22)23/h1-13,21-22H,14-15H2/t21-,22+/m0/s1
InChIKeyMDOXGRHOJHHZCE-FCHUYYIVSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5S,13bR)-5-phenyl-5,8,9,13b-tetrahydroisoquinolino[1,2-a]isoquinolin-6-one with MolForge

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Related Compounds

3-methyl-5-phenyl-2,5-dihydro-1H-3-benzazepin-4-one
CID 122217133
1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonitrile
CID 76901069
(5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one
CID 124647171
3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one
CID 102197918
1-[(1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;1-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 164972542
N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 121225936
methyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67079072
(1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 135391620
11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one
CID 3800854
(1S,2S,10bR)-1,2-dihydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 45093566
(3S)-3-amino-4-oxo-4-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)butanoic acid
CID 166251862
prop-2-enyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67145723

Frequently Asked Questions

What is the IUPAC name of (5S,13bR)-5-phenyl-5,8,9,13b-tetrahydroisoquinolino[1,2-a]isoquinolin-6-one?
The IUPAC name of (5S,13bR)-5-phenyl-5,8,9,13b-tetrahydroisoquinolino[1,2-a]isoquinolin-6-one (CID 170913650) is (5S,13bR)-5-phenyl-5,8,9,13b-tetrahydroisoquinolino[1,2-a]isoquinolin-6-one.
What is the SMILES notation for (5S,13bR)-5-phenyl-5,8,9,13b-tetrahydroisoquinolino[1,2-a]isoquinolin-6-one?
The canonical SMILES for (5S,13bR)-5-phenyl-5,8,9,13b-tetrahydroisoquinolino[1,2-a]isoquinolin-6-one is O=C1[C@@H](c2ccccc2)c2ccccc2[C@H]2c3ccccc3CCN12.
What is the InChIKey of (5S,13bR)-5-phenyl-5,8,9,13b-tetrahydroisoquinolino[1,2-a]isoquinolin-6-one?
The InChIKey is MDOXGRHOJHHZCE-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H19NO/c25-23-21(17-9-2-1-3-10-17)19-12-6-7-13-20(19)22-18-11-5-4-8-16(18)14-15-24(22)23/h1-13,21-22H,14-15H2/t21-,22+/m0/s1.
What are the key properties of (5S,13bR)-5-phenyl-5,8,9,13b-tetrahydroisoquinolino[1,2-a]isoquinolin-6-one?
(5S,13bR)-5-phenyl-5,8,9,13b-tetrahydroisoquinolino[1,2-a]isoquinolin-6-one has a molecular weight of 325.41 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,13bR)-5-phenyl-5,8,9,13b-tetrahydroisoquinolino[1,2-a]isoquinolin-6-one is sourced from PubChem (CID 170913650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).