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

C15H12ClNO — CID 737010

IUPAC(1R)-1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
SMILESO=C1Cc2ccccc2[C@H](c2ccccc2Cl)N1
InChIInChI=1S/C15H12ClNO/c16-13-8-4-3-7-12(13)15-11-6-2-1-5-10(11)9-14(18)17-15/h1-8,15H,9H2,(H,17,18)/t15-/m1/s1
InChIKeyVLNJXJOOMLSKGD-OAHLLOKOSA-N
MW257.72 g/mol
LogP3.10
Rot. Bonds1

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

(1R)-1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one (PubChem CID 737010) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
PubChem CID737010
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name(1R)-1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
SMILESO=C1Cc2ccccc2[C@H](c2ccccc2Cl)N1
InChIInChI=1S/C15H12ClNO/c16-13-8-4-3-7-12(13)15-11-6-2-1-5-10(11)9-14(18)17-15/h1-8,15H,9H2,(H,17,18)/t15-/m1/s1
InChIKeyVLNJXJOOMLSKGD-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

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Related Compounds

1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 2867658
(1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 737007
(1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
CID 743951
1-sulfanyl-2,4-dihydro-1H-isoquinolin-3-one
CID 141177403
1-(2,3-dichlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
CID 3115380
N-[1-(2-chlorophenyl)-3-oxo-2,4-dihydro-1H-isoquinolin-6-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 176618906
1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one
CID 4778105
4-amino-5-(2-chlorophenyl)pyrrolidin-2-one
CID 82284114
(2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 129404838
(2S)-2-(2-chlorophenyl)cyclobutan-1-one
CID 95240660
4-(2-chlorophenyl)cyclohexan-1-one
CID 19705258
7-(2-chlorophenyl)bicyclo[2.2.1]heptane
CID 10262419

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one?
The IUPAC name of (1R)-1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one (CID 737010) is (1R)-1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one is O=C1Cc2ccccc2[C@H](c2ccccc2Cl)N1.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one?
The InChIKey is VLNJXJOOMLSKGD-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-13-8-4-3-7-12(13)15-11-6-2-1-5-10(11)9-14(18)17-15/h1-8,15H,9H2,(H,17,18)/t15-/m1/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one?
(1R)-1-(2-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-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one is sourced from PubChem (CID 737010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).