6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide

C18H15NO4 — CID 175651899

IUPAC6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide
SMILESCOc1ccc2c(=O)oc(C(=O)Nc3ccccc3C)cc2c1
InChIInChI=1S/C18H15NO4/c1-11-5-3-4-6-15(11)19-17(20)16-10-12-9-13(22-2)7-8-14(12)18(21)23-16/h3-10H,1-2H3,(H,19,20)
InChIKeyHLRHKORKIFFBJS-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.36
Rot. Bonds3

About 6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide

6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide (PubChem CID 175651899) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide
PubChem CID175651899
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide
SMILESCOc1ccc2c(=O)oc(C(=O)Nc3ccccc3C)cc2c1
InChIInChI=1S/C18H15NO4/c1-11-5-3-4-6-15(11)19-17(20)16-10-12-9-13(22-2)7-8-14(12)18(21)23-16/h3-10H,1-2H3,(H,19,20)
InChIKeyHLRHKORKIFFBJS-UHFFFAOYSA-N
XLogP3.36
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide
CID 172905265
N-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide
CID 99797944
N-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide
CID 175651972
6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide
CID 175652128
N-(4-chloro-2-cyanophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide
CID 175651969
6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide
CID 172905513
N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide
CID 172882109
potassium 6-methoxy-3-[(2-methylphenyl)carbamoyl]naphthalen-2-olate
CID 71301113
5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 7465117
N-(2-methyl-4-nitrophenyl)-1-oxoisochromene-3-carboxamide
CID 4903893
4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049315
6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100075

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide (CID 175651899) is 6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide is COc1ccc2c(=O)oc(C(=O)Nc3ccccc3C)cc2c1.
What is the InChIKey of 6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide?
The InChIKey is HLRHKORKIFFBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-11-5-3-4-6-15(11)19-17(20)16-10-12-9-13(22-2)7-8-14(12)18(21)23-16/h3-10H,1-2H3,(H,19,20).
What are the key properties of 6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide?
6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide is sourced from PubChem (CID 175651899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).