3-[4-(isoquinolin-1-ylmethyl)phenyl]propanamide

C19H18N2O — CID 59715719

IUPAC3-[4-(isoquinolin-1-ylmethyl)phenyl]propanamide
SMILESNC(=O)CCc1ccc(Cc2nccc3ccccc23)cc1
InChIInChI=1S/C19H18N2O/c20-19(22)10-9-14-5-7-15(8-6-14)13-18-17-4-2-1-3-16(17)11-12-21-18/h1-8,11-12H,9-10,13H2,(H2,20,22)
InChIKeyGIVSYBUWBZJMNG-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.24
Rot. Bonds5

About 3-[4-(isoquinolin-1-ylmethyl)phenyl]propanamide

3-[4-(isoquinolin-1-ylmethyl)phenyl]propanamide (PubChem CID 59715719) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[4-(isoquinolin-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(isoquinolin-1-ylmethyl)phenyl]propanamide
PubChem CID59715719
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name3-[4-(isoquinolin-1-ylmethyl)phenyl]propanamide
SMILESNC(=O)CCc1ccc(Cc2nccc3ccccc23)cc1
InChIInChI=1S/C19H18N2O/c20-19(22)10-9-14-5-7-15(8-6-14)13-18-17-4-2-1-3-16(17)11-12-21-18/h1-8,11-12H,9-10,13H2,(H2,20,22)
InChIKeyGIVSYBUWBZJMNG-UHFFFAOYSA-N
XLogP3.24
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(isoquinolin-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-[4-(isoquinolin-1-ylmethyl)phenyl]propanamide (CID 59715719) is 3-[4-(isoquinolin-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(isoquinolin-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-[4-(isoquinolin-1-ylmethyl)phenyl]propanamide is NC(=O)CCc1ccc(Cc2nccc3ccccc23)cc1.
What is the InChIKey of 3-[4-(isoquinolin-1-ylmethyl)phenyl]propanamide?
The InChIKey is GIVSYBUWBZJMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c20-19(22)10-9-14-5-7-15(8-6-14)13-18-17-4-2-1-3-16(17)11-12-21-18/h1-8,11-12H,9-10,13H2,(H2,20,22).
What are the key properties of 3-[4-(isoquinolin-1-ylmethyl)phenyl]propanamide?
3-[4-(isoquinolin-1-ylmethyl)phenyl]propanamide has a molecular weight of 290.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(isoquinolin-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 59715719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).