N-(2,4-dichlorophenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide

C17H12Cl2N2O3 — CID 21490854

IUPACN-(2,4-dichlorophenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide
SMILESCN1C(=O)c2ccccc2C(C(=O)Nc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C17H12Cl2N2O3/c1-21-16(23)11-5-3-2-4-10(11)14(17(21)24)15(22)20-13-7-6-9(18)8-12(13)19/h2-8,14H,1H3,(H,20,22)
InChIKeyWVHWHWXXHJYBFZ-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.33
Rot. Bonds2

About N-(2,4-dichlorophenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide

N-(2,4-dichlorophenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide (PubChem CID 21490854) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide
PubChem CID21490854
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC NameN-(2,4-dichlorophenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide
SMILESCN1C(=O)c2ccccc2C(C(=O)Nc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C17H12Cl2N2O3/c1-21-16(23)11-5-3-2-4-10(11)14(17(21)24)15(22)20-13-7-6-9(18)8-12(13)19/h2-8,14H,1H3,(H,20,22)
InChIKeyWVHWHWXXHJYBFZ-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxy-2-methylphenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide
CID 134090589
7-chloro-N-(4-fluorophenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide
CID 134115088
N-(2,4-dichlorophenyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 73257686
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
N-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690499
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
(3S,4S)-3-(2,4-dichlorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 125369939
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
2-(3-chlorophenyl)-1,3-dioxo-N-propyl-4H-isoquinoline-4-carboxamide
CID 134117207
2,4-dichloro-N-[2-chloro-4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl]benzamide
CID 2881493
3-[(2,4-dichlorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834801
methyl (9R)-2-chloro-9H-fluorene-9-carboxylate
CID 76968611

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide (CID 21490854) is N-(2,4-dichlorophenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide is CN1C(=O)c2ccccc2C(C(=O)Nc2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide?
The InChIKey is WVHWHWXXHJYBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-21-16(23)11-5-3-2-4-10(11)14(17(21)24)15(22)20-13-7-6-9(18)8-12(13)19/h2-8,14H,1H3,(H,20,22).
What are the key properties of N-(2,4-dichlorophenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide?
N-(2,4-dichlorophenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide has a molecular weight of 363.20 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide is sourced from PubChem (CID 21490854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).