4-amino-N-isoquinolin-6-yl-2-phenylbutanamide

C19H19N3O — CID 46184852

IUPAC4-amino-N-isoquinolin-6-yl-2-phenylbutanamide
SMILESNCCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1
InChIInChI=1S/C19H19N3O/c20-10-8-18(14-4-2-1-3-5-14)19(23)22-17-7-6-16-13-21-11-9-15(16)12-17/h1-7,9,11-13,18H,8,10,20H2,(H,22,23)
InChIKeyOWLHMJKZMQMINV-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.31
Rot. Bonds5

About 4-amino-N-isoquinolin-6-yl-2-phenylbutanamide

4-amino-N-isoquinolin-6-yl-2-phenylbutanamide (PubChem CID 46184852) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-amino-N-isoquinolin-6-yl-2-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-isoquinolin-6-yl-2-phenylbutanamide
PubChem CID46184852
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-amino-N-isoquinolin-6-yl-2-phenylbutanamide
SMILESNCCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1
InChIInChI=1S/C19H19N3O/c20-10-8-18(14-4-2-1-3-5-14)19(23)22-17-7-6-16-13-21-11-9-15(16)12-17/h1-7,9,11-13,18H,8,10,20H2,(H,22,23)
InChIKeyOWLHMJKZMQMINV-UHFFFAOYSA-N
XLogP3.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-isoquinolin-6-yl-2-phenylbutanamide?
The IUPAC name of 4-amino-N-isoquinolin-6-yl-2-phenylbutanamide (CID 46184852) is 4-amino-N-isoquinolin-6-yl-2-phenylbutanamide.
What is the SMILES notation for 4-amino-N-isoquinolin-6-yl-2-phenylbutanamide?
The canonical SMILES for 4-amino-N-isoquinolin-6-yl-2-phenylbutanamide is NCCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1.
What is the InChIKey of 4-amino-N-isoquinolin-6-yl-2-phenylbutanamide?
The InChIKey is OWLHMJKZMQMINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c20-10-8-18(14-4-2-1-3-5-14)19(23)22-17-7-6-16-13-21-11-9-15(16)12-17/h1-7,9,11-13,18H,8,10,20H2,(H,22,23).
What are the key properties of 4-amino-N-isoquinolin-6-yl-2-phenylbutanamide?
4-amino-N-isoquinolin-6-yl-2-phenylbutanamide has a molecular weight of 305.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-isoquinolin-6-yl-2-phenylbutanamide is sourced from PubChem (CID 46184852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).