N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide

C18H16N2O — CID 110857655

IUPACN-(2,3-dimethylphenyl)isoquinoline-8-carboxamide
SMILESCc1cccc(NC(=O)c2cccc3ccncc23)c1C
InChIInChI=1S/C18H16N2O/c1-12-5-3-8-17(13(12)2)20-18(21)15-7-4-6-14-9-10-19-11-16(14)15/h3-11H,1-2H3,(H,20,21)
InChIKeyMLMBGNHSYFAORS-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.10
Rot. Bonds2

About N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide

N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide (PubChem CID 110857655) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)isoquinoline-8-carboxamide
PubChem CID110857655
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-(2,3-dimethylphenyl)isoquinoline-8-carboxamide
SMILESCc1cccc(NC(=O)c2cccc3ccncc23)c1C
InChIInChI=1S/C18H16N2O/c1-12-5-3-8-17(13(12)2)20-18(21)15-7-4-6-14-9-10-19-11-16(14)15/h3-11H,1-2H3,(H,20,21)
InChIKeyMLMBGNHSYFAORS-UHFFFAOYSA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide
CID 66462249
N-isoquinolin-5-yl-2-methylbenzamide
CID 110483002
N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide
CID 110860308
N-(2,3-dimethylphenyl)quinoline-8-carboxamide
CID 30267815
N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 694797
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
2-[(2,3-dimethylphenyl)carbamoyl]benzoate
CID 6950917
N-(4-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80712464
2-(dimethylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 38885784
2-hydroxy-N-(4-methyl-3-pyridinyl)benzamide
CID 63327806
isoquinoline-8-carboxylate
CID 86306452
3-hydroxy-N-naphthalen-1-ylpyridine-4-carboxamide
CID 81443161

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide (CID 110857655) is N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide is Cc1cccc(NC(=O)c2cccc3ccncc23)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide?
The InChIKey is MLMBGNHSYFAORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-5-3-8-17(13(12)2)20-18(21)15-7-4-6-14-9-10-19-11-16(14)15/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide?
N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide is sourced from PubChem (CID 110857655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).