4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide

C23H24N2O3 — CID 153496100

IUPAC4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(OCC4CCOCC4)nccc3c2)cc1
InChIInChI=1S/C23H24N2O3/c1-16-2-4-18(5-3-16)22(26)25-20-6-7-21-19(14-20)8-11-24-23(21)28-15-17-9-12-27-13-10-17/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,25,26)
InChIKeyFOXQRTNVIZZUEJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.60
Rot. Bonds5

About 4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide

4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide (PubChem CID 153496100) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide
PubChem CID153496100
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(OCC4CCOCC4)nccc3c2)cc1
InChIInChI=1S/C23H24N2O3/c1-16-2-4-18(5-3-16)22(26)25-20-6-7-21-19(14-20)8-11-24-23(21)28-15-17-9-12-27-13-10-17/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,25,26)
InChIKeyFOXQRTNVIZZUEJ-UHFFFAOYSA-N
XLogP4.60
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide?
The IUPAC name of 4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide (CID 153496100) is 4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide?
The canonical SMILES for 4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide is Cc1ccc(C(=O)Nc2ccc3c(OCC4CCOCC4)nccc3c2)cc1.
What is the InChIKey of 4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide?
The InChIKey is FOXQRTNVIZZUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16-2-4-18(5-3-16)22(26)25-20-6-7-21-19(14-20)8-11-24-23(21)28-15-17-9-12-27-13-10-17/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,25,26).
What are the key properties of 4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide?
4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide is sourced from PubChem (CID 153496100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).