2-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-one

C15H12ClNO — CID 141417787

IUPAC2-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO/c16-12-5-7-13(8-6-12)17-10-9-11-3-1-2-4-14(11)15(17)18/h1-8H,9-10H2
InChIKeyOCSDAIWZTJTJCY-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.54
Rot. Bonds1

About 2-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-one

2-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-one (PubChem CID 141417787) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-one
PubChem CID141417787
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name2-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO/c16-12-5-7-13(8-6-12)17-10-9-11-3-1-2-4-14(11)15(17)18/h1-8H,9-10H2
InChIKeyOCSDAIWZTJTJCY-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 42884
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1-(3-Chlorophenyl)-4-(4-methylbenzoyl)piperazine
CID 749123
N-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-4-fluorobenzamide
CID 42266988
4H-Isoquinoline-1,3-dione, 2-(3-chlorophenyl)-
CID 185484
2-(4-(4-Chlorophenyl)-1-piperazinyl)-1-phenylethanone
CID 1477078
2-(2-Chlorophenyl)-4,4-dimethylisoquinoline-1,3(2H,4H)-dione
CID 2325104
1-(4-Chlorobenzoyl)-4-(4-chlorophenyl)piperazine
CID 897167
2-[3-[4-(2,3-Dichlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroisoquinolin-1-one
CID 44582490
2-Phenylisoquinoline-1,3(2h,4h)-dione
CID 276114

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-one (CID 141417787) is 2-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-one is O=C1c2ccccc2CCN1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is OCSDAIWZTJTJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-12-5-7-13(8-6-12)17-10-9-11-3-1-2-4-14(11)15(17)18/h1-8H,9-10H2.
What are the key properties of 2-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-one?
2-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 257.72 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 141417787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).