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

C16H12Cl2N2O2 — CID 110690499

IUPACN-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
SMILESO=C1NC(C(=O)Nc2ccc(Cl)cc2Cl)Cc2ccccc21
InChIInChI=1S/C16H12Cl2N2O2/c17-10-5-6-13(12(18)8-10)19-16(22)14-7-9-3-1-2-4-11(9)15(21)20-14/h1-6,8,14H,7H2,(H,19,22)(H,20,21)
InChIKeyVCCFRLCTRKVPQX-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.29
Rot. Bonds2

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

N-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide (PubChem CID 110690499) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
PubChem CID110690499
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC NameN-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
SMILESO=C1NC(C(=O)Nc2ccc(Cl)cc2Cl)Cc2ccccc21
InChIInChI=1S/C16H12Cl2N2O2/c17-10-5-6-13(12(18)8-10)19-16(22)14-7-9-3-1-2-4-11(9)15(21)20-14/h1-6,8,14H,7H2,(H,19,22)(H,20,21)
InChIKeyVCCFRLCTRKVPQX-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
N-(2,3-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690503
1-oxo-N-pyrimidin-2-yl-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690484
N-(2-cyanophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690506
N-(4-fluorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690445
N-(3-acetamidophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690475
N-[2-(4-chlorophenyl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690401
N-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690377
(2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147929
N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 81271371
N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24592552
methyl 3-[(1-oxo-3,4-dihydro-2H-isoquinoline-3-carbonyl)amino]benzoate
CID 110690478

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide (CID 110690499) is N-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide is O=C1NC(C(=O)Nc2ccc(Cl)cc2Cl)Cc2ccccc21.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide?
The InChIKey is VCCFRLCTRKVPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c17-10-5-6-13(12(18)8-10)19-16(22)14-7-9-3-1-2-4-11(9)15(21)20-14/h1-6,8,14H,7H2,(H,19,22)(H,20,21).
What are the key properties of N-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide?
N-(2,4-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-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 110690499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).