N-(2,3-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide

C16H12Cl2N2O2 — CID 110690503

IUPACN-(2,3-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
SMILESO=C1NC(C(=O)Nc2cccc(Cl)c2Cl)Cc2ccccc21
InChIInChI=1S/C16H12Cl2N2O2/c17-11-6-3-7-12(14(11)18)19-16(22)13-8-9-4-1-2-5-10(9)15(21)20-13/h1-7,13H,8H2,(H,19,22)(H,20,21)
InChIKeyLMNNCEQYMILKEB-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.29
Rot. Bonds2

About N-(2,3-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide

N-(2,3-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide (PubChem CID 110690503) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
PubChem CID110690503
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC NameN-(2,3-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
SMILESO=C1NC(C(=O)Nc2cccc(Cl)c2Cl)Cc2ccccc21
InChIInChI=1S/C16H12Cl2N2O2/c17-11-6-3-7-12(14(11)18)19-16(22)13-8-9-4-1-2-5-10(9)15(21)20-13/h1-7,13H,8H2,(H,19,22)(H,20,21)
InChIKeyLMNNCEQYMILKEB-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690446
(2S)-N-(2,3-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148394
N-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690499
N-(2-cyanophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690506
N-(3-acetamidophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690475
N-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690377
1-oxo-N-pyrimidin-2-yl-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690484
N-(4-fluorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690445
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892616
methyl 3-[(1-oxo-3,4-dihydro-2H-isoquinoline-3-carbonyl)amino]benzoate
CID 110690478
N-(2,3-dichlorophenyl)azepane-2-carboxamide
CID 64563193

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide (CID 110690503) is N-(2,3-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide is O=C1NC(C(=O)Nc2cccc(Cl)c2Cl)Cc2ccccc21.
What is the InChIKey of N-(2,3-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide?
The InChIKey is LMNNCEQYMILKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c17-11-6-3-7-12(14(11)18)19-16(22)13-8-9-4-1-2-5-10(9)15(21)20-13/h1-7,13H,8H2,(H,19,22)(H,20,21).
What are the key properties of N-(2,3-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide?
N-(2,3-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide has a molecular weight of 335.19 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 110690503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).