3-amino-2-(2,6-dichloro-3-methylphenyl)isoquinolin-1-one

C16H12Cl2N2O — CID 43162653

IUPAC3-amino-2-(2,6-dichloro-3-methylphenyl)isoquinolin-1-one
SMILESCc1ccc(Cl)c(-n2c(N)cc3ccccc3c2=O)c1Cl
InChIInChI=1S/C16H12Cl2N2O/c1-9-6-7-12(17)15(14(9)18)20-13(19)8-10-4-2-3-5-11(10)16(20)21/h2-8H,19H2,1H3
InChIKeyNFAFQUNLZDAKLO-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.19
Rot. Bonds1

About 3-amino-2-(2,6-dichloro-3-methylphenyl)isoquinolin-1-one

3-amino-2-(2,6-dichloro-3-methylphenyl)isoquinolin-1-one (PubChem CID 43162653) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 3-amino-2-(2,6-dichloro-3-methylphenyl)isoquinolin-1-one.

Molecular Properties

Compound Name3-amino-2-(2,6-dichloro-3-methylphenyl)isoquinolin-1-one
PubChem CID43162653
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name3-amino-2-(2,6-dichloro-3-methylphenyl)isoquinolin-1-one
SMILESCc1ccc(Cl)c(-n2c(N)cc3ccccc3c2=O)c1Cl
InChIInChI=1S/C16H12Cl2N2O/c1-9-6-7-12(17)15(14(9)18)20-13(19)8-10-4-2-3-5-11(10)16(20)21/h2-8H,19H2,1H3
InChIKeyNFAFQUNLZDAKLO-UHFFFAOYSA-N
XLogP4.19
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-chloro-4-methylphenyl)isoquinolin-1-one
CID 43341031
3-amino-2-(2-bromo-5-chloro-4-methylphenyl)isoquinolin-1-one
CID 104724969
3-amino-2-(2-chloro-4,6-difluorophenyl)isoquinolin-1-one
CID 83073965
3-amino-2-(2,4-dichlorophenyl)isoquinolin-1-one
CID 43341028
3-amino-2-(2-chloro-4-fluorophenyl)isoquinolin-1-one
CID 43341017
3-amino-2-[4-(dimethylamino)phenyl]isoquinolin-1-one
CID 43617222
3-amino-2-(4-bromophenyl)isoquinolin-1-one
CID 43341002
3-(4-chlorophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one
CID 164511180
2,3-dimethylisoquinolin-1-one;ethane
CID 91490725
3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one
CID 3031678
3-(4-tert-butylphenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one
CID 164511182
3-amino-2-[(3-methylphenyl)methyl]isoquinolin-1-one
CID 60902327

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,6-dichloro-3-methylphenyl)isoquinolin-1-one?
The IUPAC name of 3-amino-2-(2,6-dichloro-3-methylphenyl)isoquinolin-1-one (CID 43162653) is 3-amino-2-(2,6-dichloro-3-methylphenyl)isoquinolin-1-one.
What is the SMILES notation for 3-amino-2-(2,6-dichloro-3-methylphenyl)isoquinolin-1-one?
The canonical SMILES for 3-amino-2-(2,6-dichloro-3-methylphenyl)isoquinolin-1-one is Cc1ccc(Cl)c(-n2c(N)cc3ccccc3c2=O)c1Cl.
What is the InChIKey of 3-amino-2-(2,6-dichloro-3-methylphenyl)isoquinolin-1-one?
The InChIKey is NFAFQUNLZDAKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-9-6-7-12(17)15(14(9)18)20-13(19)8-10-4-2-3-5-11(10)16(20)21/h2-8H,19H2,1H3.
What are the key properties of 3-amino-2-(2,6-dichloro-3-methylphenyl)isoquinolin-1-one?
3-amino-2-(2,6-dichloro-3-methylphenyl)isoquinolin-1-one has a molecular weight of 319.19 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,6-dichloro-3-methylphenyl)isoquinolin-1-one is sourced from PubChem (CID 43162653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).