N-(2-benzylphenyl)isoquinoline-1-carboxamide

C23H18N2O — CID 60600275

IUPACN-(2-benzylphenyl)isoquinoline-1-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)c1nccc2ccccc12
InChIInChI=1S/C23H18N2O/c26-23(22-20-12-6-4-10-18(20)14-15-24-22)25-21-13-7-5-11-19(21)16-17-8-2-1-3-9-17/h1-15H,16H2,(H,25,26)
InChIKeyXTMPZYAAGDGHQI-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.08
Rot. Bonds4

About N-(2-benzylphenyl)isoquinoline-1-carboxamide

N-(2-benzylphenyl)isoquinoline-1-carboxamide (PubChem CID 60600275) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2-benzylphenyl)isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)isoquinoline-1-carboxamide
PubChem CID60600275
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC NameN-(2-benzylphenyl)isoquinoline-1-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)c1nccc2ccccc12
InChIInChI=1S/C23H18N2O/c26-23(22-20-12-6-4-10-18(20)14-15-24-22)25-21-13-7-5-11-19(21)16-17-8-2-1-3-9-17/h1-15H,16H2,(H,25,26)
InChIKeyXTMPZYAAGDGHQI-UHFFFAOYSA-N
XLogP5.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-benzylphenyl)pyrazine-2-carboxamide
CID 1247505
methyl 2-(isoquinoline-1-carbonylamino)benzoate
CID 110861602
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
3-fluoro-N-naphthalen-1-ylpyridine-2-carboxamide
CID 110474866
N-[(2-chlorophenyl)methyl]isoquinoline-1-carboxamide
CID 110851409
N-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 112790938
N-(2-benzylphenyl)-5-(2-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 6489706
N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride
CID 120831709
3-(2-benzylanilino)-3-oxopropanoic acid
CID 62230739
N-cyanoisoquinoline-1-carboxamide
CID 79195408
N-tert-butylisoquinoline-1-carboxamide
CID 62046176
2-hydroxy-3-(isoquinoline-1-carbonylamino)propanoic acid
CID 66166243

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)isoquinoline-1-carboxamide?
The IUPAC name of N-(2-benzylphenyl)isoquinoline-1-carboxamide (CID 60600275) is N-(2-benzylphenyl)isoquinoline-1-carboxamide.
What is the SMILES notation for N-(2-benzylphenyl)isoquinoline-1-carboxamide?
The canonical SMILES for N-(2-benzylphenyl)isoquinoline-1-carboxamide is O=C(Nc1ccccc1Cc1ccccc1)c1nccc2ccccc12.
What is the InChIKey of N-(2-benzylphenyl)isoquinoline-1-carboxamide?
The InChIKey is XTMPZYAAGDGHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c26-23(22-20-12-6-4-10-18(20)14-15-24-22)25-21-13-7-5-11-19(21)16-17-8-2-1-3-9-17/h1-15H,16H2,(H,25,26).
What are the key properties of N-(2-benzylphenyl)isoquinoline-1-carboxamide?
N-(2-benzylphenyl)isoquinoline-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)isoquinoline-1-carboxamide is sourced from PubChem (CID 60600275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).