(1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one

C15H12ClNO — CID 737007

IUPAC(1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
SMILESO=C1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C15H12ClNO/c16-12-7-5-10(6-8-12)15-13-4-2-1-3-11(13)9-14(18)17-15/h1-8,15H,9H2,(H,17,18)/t15-/m1/s1
InChIKeyFKGZGLJTVBJZBZ-OAHLLOKOSA-N
MW257.72 g/mol
LogP3.10
Rot. Bonds1

About (1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one

(1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one (PubChem CID 737007) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
PubChem CID737007
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name(1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
SMILESO=C1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C15H12ClNO/c16-12-7-5-10(6-8-12)15-13-4-2-1-3-11(13)9-14(18)17-15/h1-8,15H,9H2,(H,17,18)/t15-/m1/s1
InChIKeyFKGZGLJTVBJZBZ-OAHLLOKOSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one with MolForge

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Related Compounds

(1R)-1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 737010
1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 2867658
1-sulfanyl-2,4-dihydro-1H-isoquinolin-3-one
CID 141177403
1-(4-chlorophenyl)-4-propyl-2,4-dihydro-1H-isoquinolin-3-one
CID 21389652
6-(4-chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine
CID 26291
1-(4-chlorophenyl)-7-propan-2-yloxy-6-(trideuteriomethoxy)-2,4-dihydro-1H-isoquinolin-3-one
CID 58438188
7-chloro-5-phenyl-1,2,4,5-tetrahydro-1,4-benzodiazepin-3-one
CID 154101048
(2R)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86312786
methyl 2-[[(1S)-1-(4-chlorophenyl)-3-oxo-7-propan-2-yloxy-2,4-dihydro-1H-isoquinolin-6-yl]oxy]acetate
CID 71155056
(10bS)-5-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 70488986
(3S)-3-(4-chlorophenyl)-1,3,4,5-tetrahydro-1-benzazepine-2-thione
CID 129405790
(1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
CID 743951

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one?
The IUPAC name of (1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one (CID 737007) is (1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one is O=C1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)N1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one?
The InChIKey is FKGZGLJTVBJZBZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-12-7-5-10(6-8-12)15-13-4-2-1-3-11(13)9-14(18)17-15/h1-8,15H,9H2,(H,17,18)/t15-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one?
(1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one has a molecular weight of 257.72 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one is sourced from PubChem (CID 737007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).