1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one

C15H11Cl2NO — CID 2867658

IUPAC1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
SMILESO=C1Cc2ccccc2C(c2c(Cl)cccc2Cl)N1
InChIInChI=1S/C15H11Cl2NO/c16-11-6-3-7-12(17)14(11)15-10-5-2-1-4-9(10)8-13(19)18-15/h1-7,15H,8H2,(H,18,19)
InChIKeyKCWJDWZENDHVPT-UHFFFAOYSA-N
MW292.16 g/mol
LogP3.76
Rot. Bonds1

About 1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one

1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one (PubChem CID 2867658) has the molecular formula C15H11Cl2NO and a molecular weight of 292.16 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
PubChem CID2867658
Molecular FormulaC15H11Cl2NO
Molecular Weight292.16 g/mol
Exact Mass291.02
IUPAC Name1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
SMILESO=C1Cc2ccccc2C(c2c(Cl)cccc2Cl)N1
InChIInChI=1S/C15H11Cl2NO/c16-11-6-3-7-12(17)14(11)15-10-5-2-1-4-9(10)8-13(19)18-15/h1-7,15H,8H2,(H,18,19)
InChIKeyKCWJDWZENDHVPT-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 737010
(1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 737007
1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one
CID 4778105
1-sulfanyl-2,4-dihydro-1H-isoquinolin-3-one
CID 141177403
(1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
CID 743951
1-(2,3-dichlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
CID 3115380
(1S)-3-chlorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-one
CID 89408441
8-chloro-4H-isoquinoline-1,3-dione
CID 125180476
2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84737389
(5R)-5-(3-chloro-2-methylphenyl)pyrrolidin-2-one
CID 130751967
3,10-dichloropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 4224088
(1S,8S)-3,10-dichloropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 95564315

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one (CID 2867658) is 1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one is O=C1Cc2ccccc2C(c2c(Cl)cccc2Cl)N1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one?
The InChIKey is KCWJDWZENDHVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO/c16-11-6-3-7-12(17)14(11)15-10-5-2-1-4-9(10)8-13(19)18-15/h1-7,15H,8H2,(H,18,19).
What are the key properties of 1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one?
1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one has a molecular weight of 292.16 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one is sourced from PubChem (CID 2867658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).