N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-4-methoxybenzamide

C24H19FN2O2 — CID 67976750

IUPACN-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc3ccc(-c4cc(F)ccc4C)cc3cn2)cc1
InChIInChI=1S/C24H19FN2O2/c1-15-3-8-20(25)13-22(15)18-5-4-17-12-23(26-14-19(17)11-18)27-24(28)16-6-9-21(29-2)10-7-16/h3-14H,1-2H3,(H,26,27,28)
InChIKeyNMSFNNKIWBXACD-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.61
Rot. Bonds4

About N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-4-methoxybenzamide

N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-4-methoxybenzamide (PubChem CID 67976750) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-4-methoxybenzamide
PubChem CID67976750
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC NameN-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc3ccc(-c4cc(F)ccc4C)cc3cn2)cc1
InChIInChI=1S/C24H19FN2O2/c1-15-3-8-20(25)13-22(15)18-5-4-17-12-23(26-14-19(17)11-18)27-24(28)16-6-9-21(29-2)10-7-16/h3-14H,1-2H3,(H,26,27,28)
InChIKeyNMSFNNKIWBXACD-UHFFFAOYSA-N
XLogP5.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-4-methoxybenzamide (CID 67976750) is N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc3ccc(-c4cc(F)ccc4C)cc3cn2)cc1.
What is the InChIKey of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-4-methoxybenzamide?
The InChIKey is NMSFNNKIWBXACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c1-15-3-8-20(25)13-22(15)18-5-4-17-12-23(26-14-19(17)11-18)27-24(28)16-6-9-21(29-2)10-7-16/h3-14H,1-2H3,(H,26,27,28).
What are the key properties of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-4-methoxybenzamide?
N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-4-methoxybenzamide has a molecular weight of 386.43 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 67976750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).