N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide

C18H16N2O2 — CID 110860308

IUPACN-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cccc2ccncc12
InChIInChI=1S/C18H16N2O2/c1-12-6-7-17(22-2)16(10-12)20-18(21)14-5-3-4-13-8-9-19-11-15(13)14/h3-11H,1-2H3,(H,20,21)
InChIKeyKPIFTTMPISBBFS-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.80
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide

N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide (PubChem CID 110860308) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide
PubChem CID110860308
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cccc2ccncc12
InChIInChI=1S/C18H16N2O2/c1-12-6-7-17(22-2)16(10-12)20-18(21)14-5-3-4-13-8-9-19-11-15(13)14/h3-11H,1-2H3,(H,20,21)
InChIKeyKPIFTTMPISBBFS-UHFFFAOYSA-N
XLogP3.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 81442907
N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide
CID 66596351
N-(2-methoxy-5-methylphenyl)quinoxaline-5-carboxamide
CID 110701438
2-ethoxy-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 7962641
2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide
CID 103852727
isoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone
CID 114970995
4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 28668454
N-(2-methoxy-5-methylphenyl)-1-methylindole-3-carboxamide
CID 9208634
N-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)benzamide
CID 7778212
N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
2-N-(3,4-dimethylphenyl)-6-N-(2-methoxy-5-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100442
2-(2-amino-2-oxoethoxy)-N-(2-methoxy-5-methylphenyl)benzamide
CID 9453585

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide (CID 110860308) is N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide is COc1ccc(C)cc1NC(=O)c1cccc2ccncc12.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide?
The InChIKey is KPIFTTMPISBBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-6-7-17(22-2)16(10-12)20-18(21)14-5-3-4-13-8-9-19-11-15(13)14/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide?
N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide is sourced from PubChem (CID 110860308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).